G881-0299 Screening compound: 4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-fluoro-4-methylphenyl)benzamide

G881-0299 Screening compound: 4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-fluoro-4-methylphenyl)benzamide
G881-0299 Screening compound: 4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-fluoro-4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0299
4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-fluoro-4-methylphenyl)benzamide

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

G881-0299

Molecular Formula

C25H19FN4O2S (C25 H19 FN4 O2 S)

Compound Name

4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-fluoro-4-methylphenyl)benzamide

IUPAC name

4-{1113-dimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}-N-(3-fluoro-4-methylphenyl)benzamide

SMILES

Cc1c(c(N=CN(c(cc2)ccc2C(Nc2cc(F)c(C)cc2)=O)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C25H19FN4O2S/c1-13-4-7-17(11-19(13)26)29-23(31)16-5-8-18(9-6-16)30-12-27-21-20-14(2)10-15(3)28-24(20)33-22(21)25(30)32/h4-12H,1-3H3,(H,29,31)

InChI Key

AHGXVNQLNDUVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.83

Polar Surface Area

56.259

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G881-0299 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G881-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0299?
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What is the minimum amount of G881-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0299
  • 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 G881-0299 available by request