G881-0005 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0005 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0005 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0005
N~1~-(3-chlorophenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

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

G881-0005

Molecular Formula

C17H11ClN4O2S (C17 H11 ClN4 O2 S)

Compound Name

N~1~-(3-chlorophenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2sc3c1cccn3)C2=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C17H11ClN4O2S/c18-10-3-1-4-11(7-10)21-13(23)8-22-9-20-14-12-5-2-6-19-16(12)25-15(14)17(22)24/h1-7,9H,8H2,(H,21,23)

InChI Key

XSGJRTRMEKBQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.82

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

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.47

Polar Surface Area

57.389

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G881-0005 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 G881-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0005?
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What is the minimum amount of G881-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0005
  • 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 G881-0005 available by request