V006-5642 Screening compound: 4-[(N-cyclopropylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate

V006-5642 Screening compound: 4-[(N-cyclopropylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
V006-5642 Screening compound: 4-[(N-cyclopropylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5642
4-[(N-cyclopropylhexanamido)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

V006-5642

Molecular Formula

C22H26FNO4S (C22 H26 FNO4 S)

Compound Name

4-[(N-cyclopropylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

4-[(N-cyclopropylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate

SMILES

CCCCCC(N(Cc(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O)C1CC1)=O

InChI

InChI=1S/C22H26FNO4S/c1-2-3-4-5-22(25)24(19-10-11-19)16-17-6-12-20(13-7-17)28-29(26,27)21-14-8-18(23)9-15-21/h6-9,12-15,19H,2-5,10-11,16H2,1H3

InChI Key

FVBBOZHCFPPJDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.62

Polar Surface Area

51.259

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V006-5642 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 V006-5642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5642?
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What is the minimum amount of V006-5642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5642
  • 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 V006-5642 available by request