V006-3634 Screening compound: 4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V006-3634 Screening compound: 4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V006-3634 Screening compound: 4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3634
4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-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

V006-3634

Molecular Formula

C26H25F4NO4S (C26 H25 F4 NO4 S)

Compound Name

4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

4-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(C)CC(N(Cc(cc1)ccc1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)Cc(cc1)ccc1F)=O

InChI

InChI=1S/C26H25F4NO4S/c1-18(2)14-25(32)31(16-19-6-10-22(27)11-7-19)17-20-8-12-23(13-9-20)35-36(33,34)24-5-3-4-21(15-24)26(28,29)30/h3-13,15,18H,14,16-17H2,1-2H3

InChI Key

LUOXNEUZHLDZNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.55

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

5.702

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.58

Polar Surface Area

51.684

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V006-3634 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V006-3634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3634?
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What is the minimum amount of V006-3634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3634
  • 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 V006-3634 available by request