V026-2796 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

V026-2796 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
V026-2796 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2796
5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-1-(3-fluorophenyl)-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

V026-2796

Molecular Formula

C31H32FN5O7S (C31 H32 FN5 O7 S)

Compound Name

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

IUPAC name

5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(2-methoxybenzamido)phenoxy}-1-(3-fluorophenyl)-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-c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C31H32FN5O7S/c1-4-35-14-16-36(17-15-35)45(41,42)27-19-22(33-29(38)24-10-5-6-11-25(24)43-3)12-13-26(27)44-30-20(2)28(31(39)40)34-37(30)23-9-7-8-21(32)18-23/h5-13,18-19H,4,14-17H2,1-3H3,(H,33,38)(H,39,40)

InChI Key

JNBOSEKUYNTRND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

637.69

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

3.641

Distribution Coefficient, logD

-0.875

Water Solubility, LogSw

-3.94

Polar Surface Area

115.578

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V026-2796 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 V026-2796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2796?
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What is the minimum amount of V026-2796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2796
  • 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 V026-2796 available by request