V029-9785 Screening compound: 1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide

V029-9785 Screening compound: 1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
V029-9785 Screening compound: 1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9785
1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide

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

V029-9785

Molecular Formula

C26H25FN6O7S (C26 H25 FN6 O7 S)

Compound Name

1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

1-(3-fluorophenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-nitrophenoxy}-4-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

Cc(c(C(NCc1cnccc1)=O)nn1-c2cc(F)ccc2)c1Oc(ccc([N+]([O-])=O)c1)c1S(NCCOC)(=O)=O

InChI

InChI=1S/C26H25FN6O7S/c1-17-24(25(34)29-16-18-5-4-10-28-15-18)31-32(20-7-3-6-19(27)13-20)26(17)40-22-9-8-21(33(35)36)14-23(22)41(37,38)30-11-12-39-2/h3-10,13-15,30H,11-12,16H2,1-2H3,(H,29,34)

InChI Key

WCNVOTAQPCSZGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790647

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.59

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.30

Polar Surface Area

138.727

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V029-9785 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V029-9785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9785?
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What is the minimum amount of V029-9785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9785
  • 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 V029-9785 available by request