G887-0762 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine

G887-0762 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine
G887-0762 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G887-0762
1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine

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

G887-0762

Molecular Formula

C25H30ClN5OS (C25 H30 ClN5 OS)

Compound Name

1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-(1-{6-ethylthieno[23-d]pyrimidin-4-yl}piperidine-3-carbonyl)piperazine

SMILES

CCc1cc(c(N(CCC2)CC2C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)ncn2)c2s1

InChI

InChI=1S/C25H30ClN5OS/c1-3-20-14-21-23(27-16-28-24(21)33-20)31-8-4-5-18(15-31)25(32)30-11-9-29(10-12-30)22-13-19(26)7-6-17(22)2/h6-7,13-14,16,18H,3-5,8-12,15H2,1-2H3/t18-/m0/s1

InChI Key

PBKIGJXMMSMJMB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15072973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.07

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-5.86

Polar Surface Area

44.080

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

G887-0762 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G887-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G887-0762?
Check Price and Availability of G887-0762, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G887-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G887-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G887-0762
  • 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 G887-0762 available by request