D464-0013 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

D464-0013 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide
D464-0013 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D464-0013
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

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

D464-0013

Molecular Formula

C18H22N2OS2 (C18 H22 N2 OS2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[2-methyl-4-(thiophen-2-yl)-13-thiazol-5-yl]acetamide

SMILES

Cc1nc(-c2cccs2)c(CC(NCCC2=CCCCC2)=O)s1

InChI

InChI=1S/C18H22N2OS2/c1-13-20-18(15-8-5-11-22-15)16(23-13)12-17(21)19-10-9-14-6-3-2-4-7-14/h5-6,8,11H,2-4,7,9-10,12H2,1H3,(H,19,21)

InChI Key

NBJKOBKPLKDDSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.02

Polar Surface Area

35.801

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D464-0013 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 D464-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D464-0013?
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What is the minimum amount of D464-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D464-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D464-0013
  • 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 D464-0013 available by request