G881-0036 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

G881-0036 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
G881-0036 Screening compound: N~1~-(3,4-dimethoxyphenyl)-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 G881-0036
N~1~-(3,4-dimethoxyphenyl)-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

G881-0036

Molecular Formula

C19H16N4O4S (C19 H16 N4 O4 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetamide

SMILES

COc(ccc(NC(CN(C=Nc1c2sc3ncccc13)C2=O)=O)c1)c1OC

InChI

InChI=1S/C19H16N4O4S/c1-26-13-6-5-11(8-14(13)27-2)22-15(24)9-23-10-21-16-12-4-3-7-20-18(12)28-17(16)19(23)25/h3-8,10H,9H2,1-2H3,(H,22,24)

InChI Key

DDHSLDGXZCQAGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.43

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

1.781

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-2.80

Polar Surface Area

72.650

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G881-0036 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 G881-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0036?
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What is the minimum amount of G881-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0036
  • 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 G881-0036 available by request