V029-6697 Screening compound: 2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-6697 Screening compound: 2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-6697 Screening compound: 2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6697
2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]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

V029-6697

Molecular Formula

C26H23F4NO5S (C26 H23 F4 NO5 S)

Compound Name

2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

O=C(c1cc(F)ccc1)N(CC1OCCC1)Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C26H23F4NO5S/c27-21-9-3-7-18(14-21)25(32)31(17-22-10-5-13-35-22)16-19-6-1-2-12-24(19)36-37(33,34)23-11-4-8-20(15-23)26(28,29)30/h1-4,6-9,11-12,14-15,22H,5,10,13,16-17H2/t22-/m1/s1

InChI Key

PMWIBJMGTBMDRP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD20498614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.53

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

4.676

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.80

Polar Surface Area

60.680

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V029-6697 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V029-6697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6697?
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What is the minimum amount of V029-6697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6697
  • 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 V029-6697 available by request