T816-0405 Screening compound: 2-(4-fluorophenyl)-4-methyl-7-propyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

T816-0405 Screening compound: 2-(4-fluorophenyl)-4-methyl-7-propyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
T816-0405 Screening compound: 2-(4-fluorophenyl)-4-methyl-7-propyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T816-0405
2-(4-fluorophenyl)-4-methyl-7-propyl-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

T816-0405

Molecular Formula

C16H16FN3O (C16 H16 FN3 O)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-4-methyl-7-propyl-5H6H7H-pyrrolo[23-d]pyrimidin-6-one

SMILES

CCCN1c2nc(-c(cc3)ccc3F)nc(C)c2CC1=O

InChI

InChI=1S/C16H16FN3O/c1-3-8-20-14(21)9-13-10(2)18-15(19-16(13)20)11-4-6-12(17)7-5-11/h4-7H,3,8-9H2,1-2H3

InChI Key

OVMXAXWWIJDHNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-4.11

Polar Surface Area

36.394

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

T816-0405 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 T816-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T816-0405?
Check Price and Availability of T816-0405, 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 T816-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T816-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T816-0405
  • 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 T816-0405 available by request