V025-9732 Screening compound: 5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid

V025-9732 Screening compound: 5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
V025-9732 Screening compound: 5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9732
5-[4-(2-ethylbutanamido)-2-{[3-(morpholin-4-yl)propyl]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

V025-9732

Molecular Formula

C30H38FN5O7S (C30 H38 FN5 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(Nc(cc1)cc(S(NCCCN2CCOCC2)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1-c1cc(F)ccc1)=O

InChI

InChI=1S/C30H38FN5O7S/c1-4-21(5-2)28(37)33-23-10-11-25(26(19-23)44(40,41)32-12-7-13-35-14-16-42-17-15-35)43-29-20(3)27(30(38)39)34-36(29)24-9-6-8-22(31)18-24/h6,8-11,18-19,21,32H,4-5,7,12-17H2,1-3H3,(H,33,37)(H,38,39)

InChI Key

BANMDOWTCFYWFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785927

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

631.73

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

-1.039

Water Solubility, LogSw

-3.74

Polar Surface Area

126.462

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

V025-9732 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V025-9732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9732?
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What is the minimum amount of V025-9732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9732
  • 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 V025-9732 available by request