K292-1867 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzamide

K292-1867 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzamide
K292-1867 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1867
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzamide

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

K292-1867

Molecular Formula

C22H23N3O2S2 (C22 H23 N3 O2 S2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({4-oxo-2-sulfanylidene-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN(C(c(scc2)c2N2)=O)C2=S)cc1)NCCC1=CCCCC1

InChI

InChI=1S/C22H23N3O2S2/c26-20(23-12-10-15-4-2-1-3-5-15)17-8-6-16(7-9-17)14-25-21(27)19-18(11-13-29-19)24-22(25)28/h4,6-9,11,13H,1-3,5,10,12,14H2,(H,23,26)(H,24,28)

InChI Key

LJRCNPLWHGTSHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.06

Polar Surface Area

52.783

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K292-1867 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K292-1867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1867?
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What is the minimum amount of K292-1867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1867
  • 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 K292-1867 available by request