V029-6688 Screening compound: 5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-6688 Screening compound: 5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-6688 Screening compound: 5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6688
5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-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

V029-6688

Molecular Formula

C21H24F3NO5S (C21 H24 F3 NO5 S)

Compound Name

5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-{[N-(butan-2-yl)acetamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)C(C)=O

InChI

InChI=1S/C21H24F3NO5S/c1-5-14(2)25(15(3)26)13-16-9-10-19(29-4)20(11-16)30-31(27,28)18-8-6-7-17(12-18)21(22,23)24/h6-12,14H,5,13H2,1-4H3/t14-/m0/s1

InChI Key

KRIGRIKGTBPKEG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD20492860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.49

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

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.07

Polar Surface Area

59.996

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

V029-6688 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V029-6688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6688?
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What is the minimum amount of V029-6688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6688
  • 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 V029-6688 available by request