V030-9130 Screening compound: 3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

V030-9130 Screening compound: 3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide
V030-9130 Screening compound: 3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9130
3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

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

V030-9130

Molecular Formula

C25H34ClN3O6S (C25 H34 ClN3 O6 S)

Compound Name

3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

IUPAC name

3-[4-(3-chloropropanoyl)piperazin-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

SMILES

CN(CCc(cc1)cc(OC)c1OC)S(c(cc1)cc(N(CC2)CCN2C(CCCl)=O)c1OC)(=O)=O

InChI

InChI=1S/C25H34ClN3O6S/c1-27(12-10-19-5-7-23(34-3)24(17-19)35-4)36(31,32)20-6-8-22(33-2)21(18-20)28-13-15-29(16-14-28)25(30)9-11-26/h5-8,17-18H,9-16H2,1-4H3

InChI Key

OSBNFGPCNKQAGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950646

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

540.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.39

Polar Surface Area

75.024

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V030-9130 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V030-9130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9130?
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What is the minimum amount of V030-9130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9130
  • 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 V030-9130 available by request