V025-9653 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

V025-9653 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
V025-9653 Screening compound: 5-[4-(3,3-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9653
5-[4-(3,3-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}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

V025-9653

Molecular Formula

C29H36FN5O7S (C29 H36 FN5 O7 S)

Compound Name

5-[4-(3,3-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(33-dimethylbutanamido)-2-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)CC(Nc(cc1)cc(S(NCCN2CCOCC2)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1-c1cc(F)ccc1)=O

InChI

InChI=1S/C29H36FN5O7S/c1-19-26(28(37)38)33-35(22-7-5-6-20(30)16-22)27(19)42-23-9-8-21(32-25(36)18-29(2,3)4)17-24(23)43(39,40)31-10-11-34-12-14-41-15-13-34/h5-9,16-17,31H,10-15,18H2,1-4H3,(H,32,36)(H,37,38)

InChI Key

RQASKRRQPCVPHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792046

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

617.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

-0.874

Water Solubility, LogSw

-4.04

Polar Surface Area

126.249

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V025-9653 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V025-9653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9653?
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What is the minimum amount of V025-9653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9653
  • 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 V025-9653 available by request