V031-1991 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

V031-1991 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
V031-1991 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1991
5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]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

V031-1991

Molecular Formula

C25H29Cl2N3O5S (C25 H29 Cl2 N3 O5 S)

Compound Name

5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

5-(diethylamino)-2-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}phenyl 34-dichlorobenzene-1-sulfonate

SMILES

CCNC(N(Cc1ccco1)Cc(ccc(N(CC)CC)c1)c1OS(c(cc1)cc(Cl)c1Cl)(=O)=O)=O

InChI

InChI=1S/C25H29Cl2N3O5S/c1-4-28-25(31)30(17-20-8-7-13-34-20)16-18-9-10-19(29(5-2)6-3)14-24(18)35-36(32,33)21-11-12-22(26)23(27)15-21/h7-15H,4-6,16-17H2,1-3H3,(H,28,31)

InChI Key

UWXICILOLFDUML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-5.96

Polar Surface Area

72.551

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V031-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1991?
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What is the minimum amount of V031-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1991
  • 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 V031-1991 available by request