A0070881 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

A0070881 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
A0070881 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070881
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

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

A0070881

Molecular Formula

C34H32N6O5S2 (C34 H32 N6 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)N(C(CSc3nnc(CNC(c4cccs4)=O)n3-c(cccc3)c3OC)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C34H32N6O5S2/c1-43-24-14-10-22(11-15-24)26-19-28(23-12-16-25(44-2)17-13-23)40(38-26)32(41)21-47-34-37-36-31(20-35-33(42)30-9-6-18-46-30)39(34)27-7-4-5-8-29(27)45-3/h4-18,28H,19-21H2,1-3H3,(H,35,42)/t28-/m0/s1

InChI Key

ZTOXTTCHQLZSSO-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02650469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

668.8

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.08

Polar Surface Area

100.429

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.60

References: we are preparing a list of scientific research reports with A0070881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070881?
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What is the minimum amount of A0070881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070881
  • 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 A0070881 available by request