C700-0834 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-carboxamide

C700-0834 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-carboxamide
C700-0834 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0834
5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-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

C700-0834

Molecular Formula

C21H27BrN2O4S (C21 H27 BrN2 O4 S)

Compound Name

5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-carboxamide

IUPAC name

5-[(4-bromobenzenesulfonyl)methyl]-N-{2-[cyclohexyl(methyl)amino]ethyl}furan-2-carboxamide

SMILES

CN(CCNC(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)=O)C1CCCCC1

InChI

InChI=1S/C21H27BrN2O4S/c1-24(17-5-3-2-4-6-17)14-13-23-21(25)20-12-9-18(28-20)15-29(26,27)19-10-7-16(22)8-11-19/h7-12,17H,2-6,13-15H2,1H3,(H,23,25)

InChI Key

OSTILMIVDQDYGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-3.72

Polar Surface Area

64.137

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C700-0834 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C700-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0834?
Check Price and Availability of C700-0834, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C700-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0834
  • 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 C700-0834 available by request