Y031-3002 Screening compound: N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}cyclohexanecarboxamide

Y031-3002 Screening compound: N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}cyclohexanecarboxamide
Y031-3002 Screening compound: N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3002
N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}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

Y031-3002

Molecular Formula

C21H34N2O3S (C21 H34 N2 O3 S)

Compound Name

N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}cyclohexanecarboxamide

IUPAC name

N-{4-[bis(2-methylpropyl)sulfamoyl]phenyl}cyclohexanecarboxamide

SMILES

CC(C)CN(CC(C)C)S(c(cc1)ccc1NC(C1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C21H34N2O3S/c1-16(2)14-23(15-17(3)4)27(25,26)20-12-10-19(11-13-20)22-21(24)18-8-6-5-7-9-18/h10-13,16-18H,5-9,14-15H2,1-4H3,(H,22,24)

InChI Key

RECBWLAAQOQUQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07140520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.42

Polar Surface Area

55.169

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

Y031-3002 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3002?
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What is the minimum amount of Y031-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3002
  • 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 Y031-3002 available by request