V029-6672 Screening compound: 2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-6672 Screening compound: 2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-6672 Screening compound: 2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6672
2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 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

V029-6672

Molecular Formula

C21H24F3NO5S (C21 H24 F3 NO5 S)

Compound Name

2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-{[N-(butan-2-yl)-2-methoxyacetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCC(C)N(Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)C(COC)=O

InChI

InChI=1S/C21H24F3NO5S/c1-4-15(2)25(20(26)14-29-3)13-16-8-5-6-11-19(16)30-31(27,28)18-10-7-9-17(12-18)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1

InChI Key

BIDZBDCBVHTQKW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD20498606

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

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.36

Polar Surface Area

59.794

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V029-6672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6672?
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What is the minimum amount of V029-6672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6672
  • 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 V029-6672 available by request