V031-1929 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V031-1929 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V031-1929 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1929
5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]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

V031-1929

Molecular Formula

C28H31F4N3O4S (C28 H31 F4 N3 O4 S)

Compound Name

5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-(diethylamino)-2-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCNC(N(Cc(cc1)ccc1F)Cc(ccc(N(CC)CC)c1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)=O

InChI

InChI=1S/C28H31F4N3O4S/c1-4-33-27(36)35(18-20-10-13-23(29)14-11-20)19-21-12-15-24(34(5-2)6-3)17-26(21)39-40(37,38)25-9-7-8-22(16-25)28(30,31)32/h7-17H,4-6,18-19H2,1-3H3,(H,33,36)

InChI Key

QHBLXKLZFQHPBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499164

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

581.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.764

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.60

Polar Surface Area

64.803

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V031-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1929?
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What is the minimum amount of V031-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1929
  • 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 V031-1929 available by request