A0071024 Screening compound: 2-methyl-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide

A0071024 Screening compound: 2-methyl-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
A0071024 Screening compound: 2-methyl-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0071024
2-methyl-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide

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

A0071024

Molecular Formula

C35H33N7O4S2 (C35 H33 N7 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c4c(C)c([N+]([O-])=O)ccc4)=O)n3CCc3ccccc3)=O)N=C2c2cccs2)cc1

InChI

InChI=1S/C35H33N7O4S2/c1-23-13-15-26(16-14-23)30-20-28(31-12-7-19-47-31)39-41(30)33(43)22-48-35-38-37-32(40(35)18-17-25-8-4-3-5-9-25)21-36-34(44)27-10-6-11-29(24(27)2)42(45)46/h3-16,19,30H,17-18,20-22H2,1-2H3,(H,36,44)/t30-/m1/s1

InChI Key

MNMXVVJCRBTSJY-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD04449319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

679.82

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.807

Distribution Coefficient, logD

6.807

Water Solubility, LogSw

-5.79

Polar Surface Area

110.328

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

A0071024 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 A0071024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0071024?
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What is the minimum amount of A0071024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0071024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0071024
  • 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 A0071024 available by request