A0070143 Screening compound: N-{[4-(4-fluorophenyl)-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

A0070143 Screening compound: N-{[4-(4-fluorophenyl)-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
A0070143 Screening compound: N-{[4-(4-fluorophenyl)-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 A0070143
N-{[4-(4-fluorophenyl)-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

A0070143

Molecular Formula

C32H27FN6O2S2 (C32 H27 FN6 O2 S2)

Compound Name

N-{[4-(4-fluorophenyl)-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

N-{[4-(4-fluorophenyl)-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(c4ccccc4)=O)n3-c(cc3)ccc3F)=O)N=C2c2cccs2)cc1

InChI

InChI=1S/C32H27FN6O2S2/c1-21-9-11-22(12-10-21)27-18-26(28-8-5-17-42-28)37-39(27)30(40)20-43-32-36-35-29(38(32)25-15-13-24(33)14-16-25)19-34-31(41)23-6-3-2-4-7-23/h2-17,27H,18-20H2,1H3,(H,34,41)/t27-/m1/s1

InChI Key

CRTNTMQBJVDBJW-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02649874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.74

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

5.837

Distribution Coefficient, logD

5.837

Water Solubility, LogSw

-5.61

Polar Surface Area

78.012

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

References: we are preparing a list of scientific research reports with A0070143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070143?
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What is the minimum amount of A0070143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070143
  • 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 A0070143 available by request