V030-1774 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

V030-1774 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
V030-1774 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1774
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-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

V030-1774

Molecular Formula

C28H23F3N4O9S (C28 H23 F3 N4 O9 S)

Compound Name

5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-(2-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

SMILES

Cn(c(Oc(ccc(NC(c(cc1)cc(C(F)(F)F)c1OC)=O)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)nc1C(O)=O

InChI

InChI=1S/C28H23F3N4O9S/c1-35-25(12-19(34-35)27(37)38)44-22-8-5-17(33-26(36)16-4-7-20(41-2)18(10-16)28(29,30)31)11-24(22)45(39,40)32-13-15-3-6-21-23(9-15)43-14-42-21/h3-12,32H,13-14H2,1-2H3,(H,33,36)(H,37,38)

InChI Key

FDRGKTLJBILWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498024

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

648.57

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

1.025

Water Solubility, LogSw

-4.15

Polar Surface Area

138.992

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V030-1774 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 V030-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1774?
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What is the minimum amount of V030-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1774
  • 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 V030-1774 available by request