V031-1956 Screening compound: 2-{[1-cyclobutyl-N-(cyclopropylmethyl)formamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate

V031-1956 Screening compound: 2-{[1-cyclobutyl-N-(cyclopropylmethyl)formamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
V031-1956 Screening compound: 2-{[1-cyclobutyl-N-(cyclopropylmethyl)formamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1956
2-{[1-cyclobutyl-N-(cyclopropylmethyl)formamido]methyl}-5-(diethylamino)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

V031-1956

Molecular Formula

C26H32Cl2N2O4S (C26 H32 Cl2 N2 O4 S)

Compound Name

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

IUPAC name

2-{[1-cyclobutyl-N-(cyclopropylmethyl)formamido]methyl}-5-(diethylamino)phenyl 34-dichlorobenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c(CN(CC2CC2)C(C2CCC2)=O)cc1

InChI

InChI=1S/C26H32Cl2N2O4S/c1-3-29(4-2)21-11-10-20(17-30(16-18-8-9-18)26(31)19-6-5-7-19)25(14-21)34-35(32,33)22-12-13-23(27)24(28)15-22/h10-15,18-19H,3-9,16-17H2,1-2H3

InChI Key

OOBRZOLHUQOSMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499402

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.960

Water Solubility, LogSw

-6.12

Polar Surface Area

55.809

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V031-1956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1956?
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What is the minimum amount of V031-1956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1956
  • 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 V031-1956 available by request