V031-1958 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

V031-1958 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
V031-1958 Screening compound: 5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1958
5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3,4-dichlorobenzene-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

V031-1958

Molecular Formula

C27H29Cl2FN2O4S (C27 H29 Cl2 FN2 O4 S)

Compound Name

5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

5-(diethylamino)-2-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}phenyl 34-dichlorobenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c(CN(C(C)C)C(c2cc(F)ccc2)=O)cc1

InChI

InChI=1S/C27H29Cl2FN2O4S/c1-5-31(6-2)22-11-10-20(17-32(18(3)4)27(33)19-8-7-9-21(30)14-19)26(15-22)36-37(34,35)23-12-13-24(28)25(29)16-23/h7-16,18H,5-6,17H2,1-4H3

InChI Key

MLXUALUQMHKMPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499297

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.784

Distribution Coefficient, logD

6.774

Water Solubility, LogSw

-6.52

Polar Surface Area

54.778

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V031-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1958?
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What is the minimum amount of V031-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1958
  • 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 V031-1958 available by request