C274-3518 Screening compound: 4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide

C274-3518 Screening compound: 4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide
C274-3518 Screening compound: 4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3518
4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide

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

C274-3518

Molecular Formula

C19H29BrN2O3S2 (C19 H29 BrN2 O3 S2)

Compound Name

4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide

IUPAC name

4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c(s2)ccc2Br)(=O)=O)CC1)NC1CCCCCC1

InChI

InChI=1S/C19H29BrN2O3S2/c20-17-11-12-18(26-17)27(24,25)21-13-14-7-9-15(10-8-14)19(23)22-16-5-3-1-2-4-6-16/h11-12,14-16,21H,1-10,13H2,(H,22,23)

InChI Key

XUXUITYEYBKJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.24

Polar Surface Area

67.677

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

C274-3518 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C274-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3518?
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What is the minimum amount of C274-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3518
  • 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 C274-3518 available by request