K892-0412 Screening compound: 4-(diethylamino)-N-(2,3-dimethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

K892-0412 Screening compound: 4-(diethylamino)-N-(2,3-dimethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
K892-0412 Screening compound: 4-(diethylamino)-N-(2,3-dimethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0412
4-(diethylamino)-N-(2,3-dimethylcyclohexyl)-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

K892-0412

Molecular Formula

C20H30N4OS (C20 H30 N4 OS)

Compound Name

4-(diethylamino)-N-(2,3-dimethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

4-(diethylamino)-N-(23-dimethylcyclohexyl)-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)c1c(c(C)c(C(NC2C(C)C(C)CCC2)=O)s2)c2ncn1

InChI

InChI=1S/C20H30N4OS/c1-6-24(7-2)18-16-14(5)17(26-20(16)22-11-21-18)19(25)23-15-10-8-9-12(3)13(15)4/h11-13,15H,6-10H2,1-5H3,(H,23,25)

InChI Key

AKXIWIKDUFSXMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.55

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

4.482

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.38

Polar Surface Area

48.351

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.00

K892-0412 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 K892-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0412?
Check Price and Availability of K892-0412, 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 K892-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0412
  • 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 K892-0412 available by request