G881-0158 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0158 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0158 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0158
N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[7,9-dimethyl-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

G881-0158

Molecular Formula

C21H19ClN4O4S (C21 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-{1113-dimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetamide

SMILES

Cc1cc(C)nc2c1c(N=CN(CC(Nc(c(OC)c1)cc(Cl)c1OC)=O)C1=O)c1s2

InChI

InChI=1S/C21H19ClN4O4S/c1-10-5-11(2)24-20-17(10)18-19(31-20)21(28)26(9-23-18)8-16(27)25-13-6-12(22)14(29-3)7-15(13)30-4/h5-7,9H,8H2,1-4H3,(H,25,27)

InChI Key

HZINRTHQJSAKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.55

Polar Surface Area

71.326

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G881-0158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G881-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0158?
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What is the minimum amount of G881-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0158
  • 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 G881-0158 available by request