V014-2015 Screening compound: 4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

V014-2015 Screening compound: 4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
V014-2015 Screening compound: 4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2015
4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

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

V014-2015

Molecular Formula

C24H31FN2O4S (C24 H31 FN2 O4 S)

Compound Name

4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

4-{[(cyclohexylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

CC(C)CN(Cc(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O)C(NC1CCCCC1)=O

InChI

InChI=1S/C24H31FN2O4S/c1-18(2)16-27(24(28)26-21-6-4-3-5-7-21)17-19-8-12-22(13-9-19)31-32(29,30)23-14-10-20(25)11-15-23/h8-15,18,21H,3-7,16-17H2,1-2H3,(H,26,28)

InChI Key

KQGHNFLETQWQHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19744071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-5.20

Polar Surface Area

62.079

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

V014-2015 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-2015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2015?
Check Price and Availability of V014-2015, 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 V014-2015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2015
  • 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 V014-2015 available by request