G881-0069 Screening compound: N~1~-(4-chlorobenzyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0069 Screening compound: N~1~-(4-chlorobenzyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0069 Screening compound: N~1~-(4-chlorobenzyl)-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 G881-0069
N~1~-(4-chlorobenzyl)-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

G881-0069

Molecular Formula

C18H13ClN4O2S (C18 H13 ClN4 O2 S)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-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)NCc(cc1)ccc1Cl

InChI

InChI=1S/C18H13ClN4O2S/c19-12-5-3-11(4-6-12)8-21-14(24)9-23-10-22-15-13-2-1-7-20-17(13)26-16(15)18(23)25/h1-7,10H,8-9H2,(H,21,24)

InChI Key

KCFRQBJDCBPECC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-3.19

Polar Surface Area

58.711

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G881-0069 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 G881-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0069?
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What is the minimum amount of G881-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0069
  • 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 G881-0069 available by request