V026-9933 Screening compound: 3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-sulfonate

V026-9933 Screening compound: 3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-sulfonate
V026-9933 Screening compound: 3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9933
3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-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

V026-9933

Molecular Formula

C21H26FNO4S (C21 H26 FNO4 S)

Compound Name

3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-sulfonate

IUPAC name

3-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}phenyl propane-2-sulfonate

SMILES

CCC(C)N(Cc1cccc(OS(C(C)C)(=O)=O)c1)C(c(cccc1)c1F)=O

InChI

InChI=1S/C21H26FNO4S/c1-5-16(4)23(21(24)19-11-6-7-12-20(19)22)14-17-9-8-10-18(13-17)27-28(25,26)15(2)3/h6-13,15-16H,5,14H2,1-4H3/t16-/m0/s1

InChI Key

CMSKOTOHBPVDRB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19788366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

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

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.35

Polar Surface Area

51.811

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V026-9933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9933?
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What is the minimum amount of V026-9933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9933
  • 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 V026-9933 available by request