V004-5228 Screening compound: 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate

V004-5228 Screening compound: 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
V004-5228 Screening compound: 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5228
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 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

V004-5228

Molecular Formula

C23H29ClFNO4S (C23 H29 ClFNO4 S)

Compound Name

2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate

IUPAC name

2-{[N-(butan-2-yl)-33-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate

SMILES

CCC(C)N(Cc(cc(cc1)Cl)c1OS(c(cc1)ccc1F)(=O)=O)C(CC(C)(C)C)=O

InChI

InChI=1S/C23H29ClFNO4S/c1-6-16(2)26(22(27)14-23(3,4)5)15-17-13-18(24)7-12-21(17)30-31(28,29)20-10-8-19(25)9-11-20/h7-13,16H,6,14-15H2,1-5H3/t16-/m0/s1

InChI Key

FCKVADTYSNEJGD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19791636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.232

Distribution Coefficient, logD

6.232

Water Solubility, LogSw

-6.10

Polar Surface Area

51.370

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V004-5228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5228?
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What is the minimum amount of V004-5228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5228
  • 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 V004-5228 available by request