T816-0070 Screening compound: 4-methyl-7-(3-phenylpropyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

T816-0070 Screening compound: 4-methyl-7-(3-phenylpropyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
T816-0070 Screening compound: 4-methyl-7-(3-phenylpropyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T816-0070
4-methyl-7-(3-phenylpropyl)-5,7-dihydro-6H-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

T816-0070

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

4-methyl-7-(3-phenylpropyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

IUPAC name

4-methyl-7-(3-phenylpropyl)-5H6H7H-pyrrolo[23-d]pyrimidin-6-one

SMILES

Cc1ncnc(N2CCCc3ccccc3)c1CC2=O

InChI

InChI=1S/C16H17N3O/c1-12-14-10-15(20)19(16(14)18-11-17-12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3

InChI Key

BTOXGZOHSOLNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

0.562

Water Solubility, LogSw

-3.25

Polar Surface Area

37.633

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

T816-0070 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T816-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T816-0070?
Check Price and Availability of T816-0070, 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 T816-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T816-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T816-0070
  • 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 T816-0070 available by request