V029-9766 Screening compound: 5-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl propane-2-sulfonate

V029-9766 Screening compound: 5-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl propane-2-sulfonate
V029-9766 Screening compound: 5-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9766
5-{[N-(butan-2-yl)-1-(2-fluorophenyl)formamido]methyl}-2-methoxyphenyl 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

V029-9766

Molecular Formula

C22H28FNO5S (C22 H28 FNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(Cc(cc1)cc(OS(C(C)C)(=O)=O)c1OC)C(c(cccc1)c1F)=O

InChI

InChI=1S/C22H28FNO5S/c1-6-16(4)24(22(25)18-9-7-8-10-19(18)23)14-17-11-12-20(28-5)21(13-17)29-30(26,27)15(2)3/h7-13,15-16H,6,14H2,1-5H3/t16-/m0/s1

InChI Key

DUDZFVWTYKDIPC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD20498835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.18

Polar Surface Area

59.528

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V029-9766 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V029-9766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9766?
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What is the minimum amount of V029-9766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9766
  • 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 V029-9766 available by request