V031-1927 Screening compound: 1-(2,4-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

V031-1927 Screening compound: 1-(2,4-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
V031-1927 Screening compound: 1-(2,4-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1927
1-(2,4-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-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

V031-1927

Molecular Formula

C33H37N5O7S (C33 H37 N5 O7 S)

Compound Name

1-(2,4-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

1-(24-dimethylphenyl)-5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CCN(CC1)CCN1S(c(cc(cc1)NC(c(cccc2)c2OC)=O)c1Oc1c(C)c(C(O)=O)nn1-c1c(C)cc(C)cc1)(=O)=O

InChI

InChI=1S/C33H37N5O7S/c1-6-36-15-17-37(18-16-36)46(42,43)29-20-24(34-31(39)25-9-7-8-10-27(25)44-5)12-14-28(29)45-32-23(4)30(33(40)41)35-38(32)26-13-11-21(2)19-22(26)3/h7-14,19-20H,6,15-18H2,1-5H3,(H,34,39)(H,40,41)

InChI Key

IULPRTTURZZFNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791872

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

647.75

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

0.155

Water Solubility, LogSw

-4.17

Polar Surface Area

115.277

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with V031-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1927?
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What is the minimum amount of V031-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1927
  • 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 V031-1927 available by request