K292-1587 Screening compound: 2-sulfanylidene-3-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one

K292-1587 Screening compound: 2-sulfanylidene-3-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one
K292-1587 Screening compound: 2-sulfanylidene-3-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1587
2-sulfanylidene-3-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one

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

K292-1587

Molecular Formula

C23H25N3O2S2 (C23 H25 N3 O2 S2)

Compound Name

2-sulfanylidene-3-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-sulfanylidene-3-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)cyclohexyl]methyl}-1H2H3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(C1CCC(CN(C(c(scc2)c2N2)=O)C2=S)CC1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H25N3O2S2/c27-21(25-11-9-16-3-1-2-4-18(16)14-25)17-7-5-15(6-8-17)13-26-22(28)20-19(10-12-30-20)24-23(26)29/h1-4,10,12,15,17H,5-9,11,13-14H2,(H,24,29)

InChI Key

HUKBTHSGHCOSGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.53

Polar Surface Area

44.839

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

K292-1587 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 K292-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1587?
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What is the minimum amount of K292-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1587
  • 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 K292-1587 available by request