G881-0113 Screening compound: ethyl 4-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

G881-0113 Screening compound: ethyl 4-({2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
G881-0113 Screening compound: ethyl 4-({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 G881-0113
ethyl 4-({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

G881-0113

Molecular Formula

C22H20N4O4S (C22 H20 N4 O4 S)

Compound Name

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

IUPAC name

ethyl 4-(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

CCOC(c(cc1)ccc1NC(CN(C=Nc1c2sc3nc(C)cc(C)c13)C2=O)=O)=O

InChI

InChI=1S/C22H20N4O4S/c1-4-30-22(29)14-5-7-15(8-6-14)25-16(27)10-26-11-23-18-17-12(2)9-13(3)24-20(17)31-19(18)21(26)28/h5-9,11H,4,10H2,1-3H3,(H,25,27)

InChI Key

WXPUSZZBJFFBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.09

Polar Surface Area

77.517

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with G881-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0113?
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What is the minimum amount of G881-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0113
  • 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 G881-0113 available by request