V029-4790 Screening compound: 2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V029-4790 Screening compound: 2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V029-4790 Screening compound: 2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4790
2-{[N-(cyclopropylmethyl)-3-methylbutanamido]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

V029-4790

Molecular Formula

C22H26FNO4S (C22 H26 FNO4 S)

Compound Name

2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

CC(C)CC(N(CC1CC1)Cc(cccc1)c1OS(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C22H26FNO4S/c1-16(2)13-22(25)24(14-17-7-8-17)15-18-5-3-4-6-21(18)28-29(26,27)20-11-9-19(23)10-12-20/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3

InChI Key

UIOYHKVHROIVPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498622

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

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.54

Polar Surface Area

52.293

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V029-4790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4790?
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What is the minimum amount of V029-4790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4790
  • 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 V029-4790 available by request