G881-0142 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0142 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0142 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-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 G881-0142
N~1~-[4-(diethylamino)-2-methylphenyl]-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

G881-0142

Molecular Formula

C24H27N5O2S (C24 H27 N5 O2 S)

Compound Name

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

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-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

CCN(CC)c(cc1)cc(C)c1NC(CN(C=Nc1c2sc3nc(C)cc(C)c13)C2=O)=O

InChI

InChI=1S/C24H27N5O2S/c1-6-28(7-2)17-8-9-18(14(3)11-17)27-19(30)12-29-13-25-21-20-15(4)10-16(5)26-23(20)32-22(21)24(29)31/h8-11,13H,6-7,12H2,1-5H3,(H,27,30)

InChI Key

AONOGUVUFDYATE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-4.05

Polar Surface Area

58.801

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G881-0142 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G881-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0142?
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What is the minimum amount of G881-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0142
  • 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 G881-0142 available by request