V029-9653 Screening compound: 5-[(N-cyclopropylacetamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate

V029-9653 Screening compound: 5-[(N-cyclopropylacetamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
V029-9653 Screening compound: 5-[(N-cyclopropylacetamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9653
5-[(N-cyclopropylacetamido)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

V029-9653

Molecular Formula

C19H19Cl2NO5S (C19 H19 Cl2 NO5 S)

Compound Name

5-[(N-cyclopropylacetamido)methyl]-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

5-[(N-cyclopropylacetamido)methyl]-2-methoxyphenyl 34-dichlorobenzene-1-sulfonate

SMILES

CC(N(Cc(cc1)cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC)C1CC1)=O

InChI

InChI=1S/C19H19Cl2NO5S/c1-12(23)22(14-4-5-14)11-13-3-8-18(26-2)19(9-13)27-28(24,25)15-6-7-16(20)17(21)10-15/h3,6-10,14H,4-5,11H2,1-2H3

InChI Key

TVHGNPJJRWZODV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.99

Polar Surface Area

59.972

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

V029-9653 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-9653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9653?
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What is the minimum amount of V029-9653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9653
  • 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 V029-9653 available by request