V026-4903 Screening compound: 2-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

V026-4903 Screening compound: 2-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
V026-4903 Screening compound: 2-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4903
2-{[(butan-2-yl)(tert-butylcarbamoyl)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

V026-4903

Molecular Formula

C22H29FN2O4S (C22 H29 FN2 O4 S)

Compound Name

2-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

2-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

CCC(C)N(Cc(cccc1)c1OS(c(cc1)ccc1F)(=O)=O)C(NC(C)(C)C)=O

InChI

InChI=1S/C22H29FN2O4S/c1-6-16(2)25(21(26)24-22(3,4)5)15-17-9-7-8-10-20(17)29-30(27,28)19-13-11-18(23)12-14-19/h7-14,16H,6,15H2,1-5H3,(H,24,26)/t16-/m0/s1

InChI Key

BUZHWMITXFAQRU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19790452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

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

5.217

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-5.03

Polar Surface Area

60.864

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V026-4903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4903?
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What is the minimum amount of V026-4903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4903
  • 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 V026-4903 available by request