G895-0593 Screening compound: 4-[cyclohexyl(methyl)amino]-N-cyclooctyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

G895-0593 Screening compound: 4-[cyclohexyl(methyl)amino]-N-cyclooctyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
G895-0593 Screening compound: 4-[cyclohexyl(methyl)amino]-N-cyclooctyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G895-0593
4-[cyclohexyl(methyl)amino]-N-cyclooctyl-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

G895-0593

Molecular Formula

C23H34N4OS (C23 H34 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NC2CCCCCCC2)=O)sc2ncnc(N(C)C3CCCCC3)c12

InChI

InChI=1S/C23H34N4OS/c1-16-19-21(27(2)18-13-9-6-10-14-18)24-15-25-23(19)29-20(16)22(28)26-17-11-7-4-3-5-8-12-17/h15,17-18H,3-14H2,1-2H3,(H,26,28)

InChI Key

JZLWGJWPNREMBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.210

Distribution Coefficient, logD

6.187

Water Solubility, LogSw

-5.50

Polar Surface Area

47.562

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

G895-0593 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G895-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G895-0593?
Check Price and Availability of G895-0593, 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 G895-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G895-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G895-0593
  • 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 G895-0593 available by request