C521-1297 Screening compound: N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}furan-2-carboxamide

C521-1297 Screening compound: N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}furan-2-carboxamide
C521-1297 Screening compound: N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-1297
N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}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

C521-1297

Molecular Formula

C20H22F3NO4S (C20 H22 F3 NO4 S)

Compound Name

N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}furan-2-carboxamide

IUPAC name

N-(2-methylcyclohexyl)-5-{[3-(trifluoromethyl)benzenesulfonyl]methyl}furan-2-carboxamide

SMILES

CC(CCCC1)C1NC(c1ccc(CS(c2cc(C(F)(F)F)ccc2)(=O)=O)o1)=O

InChI

InChI=1S/C20H22F3NO4S/c1-13-5-2-3-8-17(13)24-19(25)18-10-9-15(28-18)12-29(26,27)16-7-4-6-14(11-16)20(21,22)23/h4,6-7,9-11,13,17H,2-3,5,8,12H2,1H3,(H,24,25)

InChI Key

YGMRDGPKUSXIHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.34

Polar Surface Area

61.373

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

C521-1297 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C521-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-1297?
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What is the minimum amount of C521-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-1297
  • 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 C521-1297 available by request