G881-0499 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methoxyphenyl)benzamide

G881-0499 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methoxyphenyl)benzamide
G881-0499 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0499
3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methoxyphenyl)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

G881-0499

Molecular Formula

C25H20N4O3S (C25 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(c(N=CN(c2cc(C(Nc3cc(OC)ccc3)=O)ccc2)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C25H20N4O3S/c1-14-10-15(2)27-24-20(14)21-22(33-24)25(31)29(13-26-21)18-8-4-6-16(11-18)23(30)28-17-7-5-9-19(12-17)32-3/h4-13H,1-3H3,(H,28,30)

InChI Key

UQZVXEXGFHGSCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.69

Polar Surface Area

63.803

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G881-0499 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G881-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0499?
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What is the minimum amount of G881-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0499
  • 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 G881-0499 available by request