G881-0127 Screening compound: 2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(1-naphthyl)acetamide

G881-0127 Screening compound: 2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(1-naphthyl)acetamide
G881-0127 Screening compound: 2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(1-naphthyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0127
2-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(1-naphthyl)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

G881-0127

Molecular Formula

C23H18N4O2S (C23 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(c(N=CN(CC(Nc2cccc3ccccc23)=O)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C23H18N4O2S/c1-13-10-14(2)25-22-19(13)20-21(30-22)23(29)27(12-24-20)11-18(28)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-10,12H,11H2,1-2H3,(H,26,28)

InChI Key

OGZQBLGTSGNTAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.47

Polar Surface Area

55.794

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G881-0127 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 G881-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0127?
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What is the minimum amount of G881-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0127
  • 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 G881-0127 available by request