A0070293 Screening compound: 3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070293 Screening compound: 3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070293 Screening compound: 3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070293
3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

A0070293

Molecular Formula

C33H29FN6O2S2 (C33 H29 FN6 O2 S2)

Compound Name

3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

3-fluoro-N-{[4-(3-methylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c4cc(F)ccc4)=O)n3-c3cc(C)ccc3)=O)N=C2c2cccs2)cc1

InChI

InChI=1S/C33H29FN6O2S2/c1-21-11-13-23(14-12-21)28-18-27(29-10-5-15-43-29)38-40(28)31(41)20-44-33-37-36-30(39(33)26-9-3-6-22(2)16-26)19-35-32(42)24-7-4-8-25(34)17-24/h3-17,28H,18-20H2,1-2H3,(H,35,42)/t28-/m1/s1

InChI Key

XXCQBPQMDUXWLZ-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD02649993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.503

Distribution Coefficient, logD

6.503

Water Solubility, LogSw

-5.63

Polar Surface Area

78.012

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with A0070293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070293?
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What is the minimum amount of A0070293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070293
  • 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 A0070293 available by request