G887-0570 Screening compound: N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide

G887-0570 Screening compound: N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide
G887-0570 Screening compound: N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G887-0570
N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide

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

G887-0570

Molecular Formula

C21H23ClN4OS (C21 H23 ClN4 OS)

Compound Name

N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-4-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-1-{6-ethylthieno[23-d]pyrimidin-4-yl}piperidine-4-carboxamide

SMILES

CCc1cc(c(N(CC2)CCC2C(NCc2cccc(Cl)c2)=O)ncn2)c2s1

InChI

InChI=1S/C21H23ClN4OS/c1-2-17-11-18-19(24-13-25-21(18)28-17)26-8-6-15(7-9-26)20(27)23-12-14-4-3-5-16(22)10-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3,(H,23,27)

InChI Key

MMRLUKREZDISGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.73

Polar Surface Area

48.952

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G887-0570 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)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G887-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G887-0570?
Check Price and Availability of G887-0570, 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 G887-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G887-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G887-0570
  • 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 G887-0570 available by request