V030-3535 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

V030-3535 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
V030-3535 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3535
5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

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

V030-3535

Molecular Formula

C31H32ClN5O6S (C31 H32 ClN5 O6 S)

Compound Name

5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(2-chlorobenzamido)-2-[(4-ethylpiperazin-1-yl)sulfonyl]phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

SMILES

CCN(CC1)CCN1S(c(cc(cc1)NC(c(cccc2)c2Cl)=O)c1Oc1c(C)c(C(O)=O)nn1-c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C31H32ClN5O6S/c1-4-35-15-17-36(18-16-35)44(41,42)27-19-22(33-29(38)24-7-5-6-8-25(24)32)11-14-26(27)43-30-21(3)28(31(39)40)34-37(30)23-12-9-20(2)10-13-23/h5-14,19H,4,15-18H2,1-3H3,(H,33,38)(H,39,40)

InChI Key

WULADHCLTIRBRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499057

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

638.14

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-4.45

Polar Surface Area

107.947

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V030-3535 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-3535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3535?
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What is the minimum amount of V030-3535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3535
  • 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 V030-3535 available by request