A0070407 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

A0070407 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
A0070407 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070407
N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

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

A0070407

Molecular Formula

C32H27FN6O3S2 (C32 H27 FN6 O3 S2)

Compound Name

N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

IUPAC name

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

SMILES

COc1cccc(C(NCc(n2-c3ccccc3)nnc2SCC(N(C(C2)c(cc3)ccc3F)N=C2c2cccs2)=O)=O)c1

InChI

InChI=1S/C32H27FN6O3S2/c1-42-25-10-5-7-22(17-25)31(41)34-19-29-35-36-32(38(29)24-8-3-2-4-9-24)44-20-30(40)39-27(21-12-14-23(33)15-13-21)18-26(37-39)28-11-6-16-43-28/h2-17,27H,18-20H2,1H3,(H,34,41)/t27-/m1/s1

InChI Key

SBUREZJGRLXYTR-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02650093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-5.50

Polar Surface Area

85.556

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

References: we are preparing a list of scientific research reports with A0070407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070407?
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What is the minimum amount of A0070407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070407
  • 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 A0070407 available by request