V029-9599 Screening compound: 1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

V029-9599 Screening compound: 1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
V029-9599 Screening compound: 1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9599
1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)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

V029-9599

Molecular Formula

C32H31F3N4O8S (C32 H31 F3 N4 O8 S)

Compound Name

1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

1-(2-ethylphenyl)-5-{4-[4-methoxy-3-(trifluoromethyl)benzamido]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CCc(cccc1)c1-n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cc1)cc(C(F)(F)F)c1OC)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C32H31F3N4O8S/c1-4-20-7-5-6-8-24(20)39-30(19(2)28(37-39)31(41)42)47-26-12-10-22(18-27(26)48(43,44)38-13-15-46-16-14-38)36-29(40)21-9-11-25(45-3)23(17-21)32(33,34)35/h5-12,17-18H,4,13-16H2,1-3H3,(H,36,40)(H,41,42)

InChI Key

HAUDBLITDZLOSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498056

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

688.68

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

0.485

Water Solubility, LogSw

-4.36

Polar Surface Area

119.649

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V029-9599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9599?
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What is the minimum amount of V029-9599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9599
  • 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 V029-9599 available by request