G887-0610 Screening compound: 1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

G887-0610 Screening compound: 1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
G887-0610 Screening compound: 1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G887-0610
1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(4-methylpiperidin-1-yl)ethyl]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

G887-0610

Molecular Formula

C22H33N5OS (C22 H33 N5 OS)

Compound Name

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

IUPAC name

1-{6-ethylthieno[23-d]pyrimidin-4-yl}-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

CCc1cc2c(N(CC3)CCC3C(NCCN3CCC(C)CC3)=O)ncnc2s1

InChI

InChI=1S/C22H33N5OS/c1-3-18-14-19-20(24-15-25-22(19)29-18)27-11-6-17(7-12-27)21(28)23-8-13-26-9-4-16(2)5-10-26/h14-17H,3-13H2,1-2H3,(H,23,28)

InChI Key

CXRNOAXCRLWBRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-3.73

Polar Surface Area

52.776

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

G887-0610 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 G887-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G887-0610?
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What is the minimum amount of G887-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G887-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G887-0610
  • 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 G887-0610 available by request