V029-8469 Screening compound: 5-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate

V029-8469 Screening compound: 5-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
V029-8469 Screening compound: 5-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8469
5-{[(ethylcarbamoyl)[(furan-2-yl)methyl]amino]methyl}-2-methoxyphenyl 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

V029-8469

Molecular Formula

C22H22Cl2N2O6S (C22 H22 Cl2 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(Cc1ccco1)Cc(cc1)cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC)=O

InChI

InChI=1S/C22H22Cl2N2O6S/c1-3-25-22(27)26(14-16-5-4-10-31-16)13-15-6-9-20(30-2)21(11-15)32-33(28,29)17-7-8-18(23)19(24)12-17/h4-12H,3,13-14H2,1-2H3,(H,25,27)

InChI Key

JDWSTVFJWUDRQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.54

Polar Surface Area

77.446

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V029-8469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8469?
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What is the minimum amount of V029-8469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8469
  • 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 V029-8469 available by request