V029-2703 Screening compound: 1-(3-fluorophenyl)-5-(2-{[(furan-2-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy)-4-methyl-1H-pyrazole-3-carboxylic acid

V029-2703 Screening compound: 1-(3-fluorophenyl)-5-(2-{[(furan-2-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy)-4-methyl-1H-pyrazole-3-carboxylic acid
V029-2703 Screening compound: 1-(3-fluorophenyl)-5-(2-{[(furan-2-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy)-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2703
1-(3-fluorophenyl)-5-(2-{[(furan-2-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy)-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

V029-2703

Molecular Formula

C27H27FN4O7S (C27 H27 FN4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)C(Nc(cc1)cc(S(NCc2ccco2)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1-c1cc(F)ccc1)=O

InChI

InChI=1S/C27H27FN4O7S/c1-4-16(2)25(33)30-19-10-11-22(23(14-19)40(36,37)29-15-21-9-6-12-38-21)39-26-17(3)24(27(34)35)31-32(26)20-8-5-7-18(28)13-20/h5-14,16,29H,4,15H2,1-3H3,(H,30,33)(H,34,35)/t16-/m0/s1

InChI Key

CYLIITHCFGKCJI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19791738

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

570.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

-0.120

Water Solubility, LogSw

-4.28

Polar Surface Area

122.478

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V029-2703 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V029-2703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2703?
Check Price and Availability of V029-2703, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-2703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2703
  • 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 V029-2703 available by request