A0070698 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}-2-phenoxyacetamide

A0070698 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}-2-phenoxyacetamide
A0070698 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}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070698
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}-2-phenoxyacetamide

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

A0070698

Molecular Formula

C37H36N6O6S (C37 H36 N6 O6 S)

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}-2-phenoxyacetamide

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}-2-phenoxyacetamide

SMILES

COc1ccc(C(C2)N(C(CSc3nnc(CNC(COc4ccccc4)=O)n3-c(cccc3)c3OC)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C37H36N6O6S/c1-46-27-17-13-25(14-18-27)30-21-32(26-15-19-28(47-2)20-16-26)43(41-30)36(45)24-50-37-40-39-34(42(37)31-11-7-8-12-33(31)48-3)22-38-35(44)23-49-29-9-5-4-6-10-29/h4-20,32H,21-24H2,1-3H3,(H,38,44)/t32-/m0/s1

InChI Key

ZSZSWVALRKPUPC-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD02650323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.257

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.12

Polar Surface Area

106.697

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.60

A0070698 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with A0070698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070698?
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What is the minimum amount of A0070698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070698
  • 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 A0070698 available by request