V029-9391 Screening compound: 3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

V029-9391 Screening compound: 3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
V029-9391 Screening compound: 3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}methyl)phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9391
3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}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

V029-9391

Molecular Formula

C25H23F2NO4S (C25 H23 F2 NO4 S)

Compound Name

3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

3-({1-cyclobutyl-N-[(4-fluorophenyl)methyl]formamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

SMILES

O=C(C1CCC1)N(Cc(cc1)ccc1F)Cc1cccc(OS(c(cc2)ccc2F)(=O)=O)c1

InChI

InChI=1S/C25H23F2NO4S/c26-21-9-7-18(8-10-21)16-28(25(29)20-4-2-5-20)17-19-3-1-6-23(15-19)32-33(30,31)24-13-11-22(27)12-14-24/h1,3,6-15,20H,2,4-5,16-17H2

InChI Key

SZDZBOLJPDLXMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20492926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.41

Polar Surface Area

52.463

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V029-9391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9391?
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What is the minimum amount of V029-9391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9391
  • 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 V029-9391 available by request