G881-0119 Screening compound: methyl 2-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

G881-0119 Screening compound: methyl 2-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
G881-0119 Screening compound: methyl 2-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0119
methyl 2-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

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

G881-0119

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

methyl 2-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 2-(2-{1113-dimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetamido)benzoate

SMILES

Cc1c(c(N=CN(CC(Nc(cccc2)c2C(OC)=O)=O)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C21H18N4O4S/c1-11-8-12(2)23-19-16(11)17-18(30-19)20(27)25(10-22-17)9-15(26)24-14-7-5-4-6-13(14)21(28)29-3/h4-8,10H,9H2,1-3H3,(H,24,26)

InChI Key

NYUYQUOYCAHKJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.40

Polar Surface Area

77.239

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G881-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0119?
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What is the minimum amount of G881-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0119
  • 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 G881-0119 available by request