A0070167 Screening compound: N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070167 Screening compound: N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070167 Screening compound: N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070167
N-{[5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-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

A0070167

Molecular Formula

C33H30N6O3S2 (C33 H30 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCC(N(C(C3)c(cc4)ccc4OC)N=C3c3cccs3)=O)nnc2CNC(c2ccccc2)=O)c1

InChI

InChI=1S/C33H30N6O3S2/c1-22-8-6-11-25(18-22)38-30(20-34-32(41)24-9-4-3-5-10-24)35-36-33(38)44-21-31(40)39-28(23-13-15-26(42-2)16-14-23)19-27(37-39)29-12-7-17-43-29/h3-18,28H,19-21H2,1-2H3,(H,34,41)/t28-/m1/s1

InChI Key

DCNBJPRMKGOGCO-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD02649897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.77

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

5.835

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-5.56

Polar Surface Area

85.556

Acid Dissociation Constant (pKa)

11.93

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 A0070167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070167?
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What is the minimum amount of A0070167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070167
  • 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 A0070167 available by request