A0070671 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide

A0070671 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
A0070671 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070671
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide

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

A0070671

Molecular Formula

C31H32N6O4S (C31 H32 N6 O4 S)

Compound Name

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

IUPAC name

N-{[5-({2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-124-triazol-3-yl]methyl}-2-phenylacetamide

SMILES

Cn1c(SCC(N(C(C2)c(cc3)ccc3OC)N=C2c(cc2)ccc2OC)=O)nnc1CNC(Cc1ccccc1)=O

InChI

InChI=1S/C31H32N6O4S/c1-36-28(19-32-29(38)17-21-7-5-4-6-8-21)33-34-31(36)42-20-30(39)37-27(23-11-15-25(41-3)16-12-23)18-26(35-37)22-9-13-24(40-2)14-10-22/h4-16,27H,17-20H2,1-3H3,(H,32,38)/t27-/m0/s1

InChI Key

RCBRBZRFTJDUHC-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02650299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.15

Polar Surface Area

92.206

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with A0070671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070671?
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What is the minimum amount of A0070671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070671
  • 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 A0070671 available by request