T816-1418 Screening compound: 4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

T816-1418 Screening compound: 4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
T816-1418 Screening compound: 4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T816-1418
4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T816-1418

Molecular Formula

C16H17N5O2 (C16 H17 N5 O2)

Compound Name

4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

IUPAC name

4-methyl-7-[(oxolan-2-yl)methyl]-2-(pyrazin-2-yl)-5H6H7H-pyrrolo[23-d]pyrimidin-6-one

SMILES

Cc1nc(-c2nccnc2)nc(N2CC3OCCC3)c1CC2=O

InChI

InChI=1S/C16H17N5O2/c1-10-12-7-14(22)21(9-11-3-2-6-23-11)16(12)20-15(19-10)13-8-17-4-5-18-13/h4-5,8,11H,2-3,6-7,9H2,1H3/t11-/m1/s1

InChI Key

MSFBXBKATJDVFW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27623781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.779

Distribution Coefficient, logD

-1.966

Water Solubility, LogSw

-1.03

Polar Surface Area

63.364

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

T816-1418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Others
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T816-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T816-1418?
Check Price and Availability of T816-1418, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T816-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T816-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T816-1418
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T816-1418 available by request