K696-0263 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amine

K696-0263 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amine
K696-0263 Screening compound: N-[4-(4-chlorophenoxy)phenyl]-N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0263
N-[4-(4-chlorophenoxy)phenyl]-N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amine

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

K696-0263

Molecular Formula

C22H18ClN3OS (C22 H18 ClN3 OS)

Compound Name

N-[4-(4-chlorophenoxy)phenyl]-N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amine

IUPAC name

N-[4-(4-chlorophenoxy)phenyl]-10-methyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-amine

SMILES

Cc1nc(sc2c3CCC2)c3c(Nc(cc2)ccc2Oc(cc2)ccc2Cl)n1

InChI

InChI=1S/C22H18ClN3OS/c1-13-24-21(20-18-3-2-4-19(18)28-22(20)25-13)26-15-7-11-17(12-8-15)27-16-9-5-14(23)6-10-16/h5-12H,2-4H2,1H3,(H,24,25,26)

InChI Key

BCMCYZKWVKGHBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.852

Distribution Coefficient, logD

6.832

Water Solubility, LogSw

-6.64

Polar Surface Area

36.114

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K696-0263 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 K696-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0263?
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What is the minimum amount of K696-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0263
  • 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 K696-0263 available by request