G821-0399 Screening compound: 6-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

G821-0399 Screening compound: 6-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
G821-0399 Screening compound: 6-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G821-0399
6-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

G821-0399

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

6-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

6-[4-(34-dimethoxybenzoyl)piperazine-1-carbonyl]-5-methyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1c(C(N(CC2)CCN2C(c(cc2)cc(OC)c2OC)=O)=O)sc(N=CN2)c1C2=O

InChI

InChI=1S/C21H22N4O5S/c1-12-16-18(26)22-11-23-19(16)31-17(12)21(28)25-8-6-24(7-9-25)20(27)13-4-5-14(29-2)15(10-13)30-3/h4-5,10-11H,6-9H2,1-3H3,(H,22,23,26)

InChI Key

FQUWOSFQNGGYCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.320

Distribution Coefficient, logD

0.317

Water Solubility, LogSw

-2.35

Polar Surface Area

84.202

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G821-0399 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 G821-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G821-0399?
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What is the minimum amount of G821-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G821-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G821-0399
  • 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 G821-0399 available by request