G821-0617 Screening compound: 6-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

G821-0617 Screening compound: 6-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
G821-0617 Screening compound: 6-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G821-0617
6-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-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

G821-0617

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

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

IUPAC name

6-{4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-5-methyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1c(C(N(CC2)CCC2C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)=O)sc(N=CN2)c1C2=O

InChI

InChI=1S/C26H31N5O3S/c1-16-4-5-17(2)20(14-16)29-10-12-31(13-11-29)25(33)19-6-8-30(9-7-19)26(34)22-18(3)21-23(32)27-15-28-24(21)35-22/h4-5,14-15,19H,6-13H2,1-3H3,(H,27,28,32)

InChI Key

LGPYASRHCNSWHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-2.99

Polar Surface Area

72.093

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G821-0617 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G821-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G821-0617?
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What is the minimum amount of G821-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G821-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G821-0617
  • 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 G821-0617 available by request