G881-0314 Screening compound: N~1~-(4-bromophenyl)-4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide

G881-0314 Screening compound: N~1~-(4-bromophenyl)-4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
G881-0314 Screening compound: N~1~-(4-bromophenyl)-4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0314
N~1~-(4-bromophenyl)-4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]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

G881-0314

Molecular Formula

C24H17BrN4O2S (C24 H17 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nc2c1c(N=CN(c(cc1)ccc1C(Nc(cc1)ccc1Br)=O)C1=O)c1s2

InChI

InChI=1S/C24H17BrN4O2S/c1-13-11-14(2)27-23-19(13)20-21(32-23)24(31)29(12-26-20)18-9-3-15(4-10-18)22(30)28-17-7-5-16(25)6-8-17/h3-12H,1-2H3,(H,28,30)

InChI Key

IFAVACILZOIOKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.39

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

4.922

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.92

Polar Surface Area

56.259

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

G881-0314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G881-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0314?
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What is the minimum amount of G881-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0314
  • 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 G881-0314 available by request