V029-2704 Screening compound: 1-(3-fluorophenyl)-4-methyl-5-{4-[(2-methylbutanoyl)amino]-2-[(propylamino)sulfonyl]phenoxy}-1H-pyrazole-3-carboxylic acid

V029-2704 Screening compound: 1-(3-fluorophenyl)-4-methyl-5-{4-[(2-methylbutanoyl)amino]-2-[(propylamino)sulfonyl]phenoxy}-1H-pyrazole-3-carboxylic acid
V029-2704 Screening compound: 1-(3-fluorophenyl)-4-methyl-5-{4-[(2-methylbutanoyl)amino]-2-[(propylamino)sulfonyl]phenoxy}-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2704
1-(3-fluorophenyl)-4-methyl-5-{4-[(2-methylbutanoyl)amino]-2-[(propylamino)sulfonyl]phenoxy}-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

V029-2704

Molecular Formula

C25H29FN4O6S (C25 H29 FN4 O6 S)

Compound Name

1-(3-fluorophenyl)-4-methyl-5-{4-[(2-methylbutanoyl)amino]-2-[(propylamino)sulfonyl]phenoxy}-1H-pyrazole-3-carboxylic acid

IUPAC name

1-(3-fluorophenyl)-4-methyl-5-[4-(2-methylbutanamido)-2-(propylsulfamoyl)phenoxy]-1H-pyrazole-3-carboxylic acid

SMILES

CCCNS(c(cc(cc1)NC(C(C)CC)=O)c1Oc1c(C)c(C(O)=O)nn1-c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C25H29FN4O6S/c1-5-12-27-37(34,35)21-14-18(28-23(31)15(3)6-2)10-11-20(21)36-24-16(4)22(25(32)33)29-30(24)19-9-7-8-17(26)13-19/h7-11,13-15,27H,5-6,12H2,1-4H3,(H,28,31)(H,32,33)/t15-/m0/s1

InChI Key

XLHMMGVIYFNWKU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19791734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

-0.186

Water Solubility, LogSw

-4.26

Polar Surface Area

114.843

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V029-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2704?
Check Price and Availability of V029-2704, 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 V029-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2704
  • 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 V029-2704 available by request