V001-4704 Screening compound: 2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

V001-4704 Screening compound: 2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
V001-4704 Screening compound: 2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4704
2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

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

V001-4704

Molecular Formula

C25H28ClN5O5S (C25 H28 ClN5 O5 S)

Compound Name

2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

IUPAC name

2-{4-[(6-chloropyridin-2-yl)sulfonyl]piperazin-1-yl}-N-[2-(34-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

SMILES

COc(ccc(CCNC(c1cccnc1N(CC1)CCN1S(c1cccc(Cl)n1)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C25H28ClN5O5S/c1-35-20-9-8-18(17-21(20)36-2)10-12-28-25(32)19-5-4-11-27-24(19)30-13-15-31(16-14-30)37(33,34)23-7-3-6-22(26)29-23/h3-9,11,17H,10,12-16H2,1-2H3,(H,28,32)

InChI Key

HMSHYTXJRMTKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946406

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.05

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-3.60

Polar Surface Area

91.964

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V001-4704 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V001-4704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4704?
Check Price and Availability of V001-4704, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-4704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4704
  • 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 V001-4704 available by request