G895-0586 Screening compound: N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

G895-0586 Screening compound: N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
G895-0586 Screening compound: N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G895-0586
N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-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

G895-0586

Molecular Formula

C22H25ClN4OS (C22 H25 ClN4 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-[cyclohexyl(methyl)amino]-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(NCc(cccc2)c2Cl)=O)sc2c1c(N(C)C1CCCCC1)ncn2

InChI

InChI=1S/C22H25ClN4OS/c1-14-18-20(27(2)16-9-4-3-5-10-16)25-13-26-22(18)29-19(14)21(28)24-12-15-8-6-7-11-17(15)23/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,24,28)

InChI Key

PZSKFNPEHWKXEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.99

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

5.641

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.79

Polar Surface Area

47.506

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G895-0586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G895-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G895-0586?
Check Price and Availability of G895-0586, 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 G895-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G895-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G895-0586
  • 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 G895-0586 available by request