C274-3485 Screening compound: 4-({[(5-bromo-2-thienyl)sulfonyl]amino}methyl)-N-[2-(1-cyclohexenyl)ethyl]-1-cyclohexanecarboxamide

C274-3485 Screening compound: 4-({[(5-bromo-2-thienyl)sulfonyl]amino}methyl)-N-[2-(1-cyclohexenyl)ethyl]-1-cyclohexanecarboxamide
C274-3485 Screening compound: 4-({[(5-bromo-2-thienyl)sulfonyl]amino}methyl)-N-[2-(1-cyclohexenyl)ethyl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3485
4-({[(5-bromo-2-thienyl)sulfonyl]amino}methyl)-N-[2-(1-cyclohexenyl)ethyl]-1-cyclohexanecarboxamide

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

C274-3485

Molecular Formula

C20H29BrN2O3S2 (C20 H29 BrN2 O3 S2)

Compound Name

4-({[(5-bromo-2-thienyl)sulfonyl]amino}methyl)-N-[2-(1-cyclohexenyl)ethyl]-1-cyclohexanecarboxamide

IUPAC name

4-[(5-bromothiophene-2-sulfonamido)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c(s2)ccc2Br)(=O)=O)CC1)NCCC1=CCCCC1

InChI

InChI=1S/C20H29BrN2O3S2/c21-18-10-11-19(27-18)28(25,26)23-14-16-6-8-17(9-7-16)20(24)22-13-12-15-4-2-1-3-5-15/h4,10-11,16-17,23H,1-3,5-9,12-14H2,(H,22,24)

InChI Key

ISGYGKDJMKCAJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.72

Polar Surface Area

67.654

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C274-3485 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C274-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3485?
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What is the minimum amount of C274-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3485
  • 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 C274-3485 available by request