A0070609 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070609 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070609 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070609
4-(dimethylsulfamoyl)-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-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

A0070609

Molecular Formula

C32H35N7O5S2 (C32 H35 N7 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c(cc4)ccc4S(N(C)C)(=O)=O)=O)n3C)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C32H35N7O5S2/c1-21-6-8-23(9-7-21)28-18-27(22-10-14-25(44-5)15-11-22)36-39(28)30(40)20-45-32-35-34-29(38(32)4)19-33-31(41)24-12-16-26(17-13-24)46(42,43)37(2)3/h6-17,28H,18-20H2,1-5H3,(H,33,41)/t28-/m0/s1

InChI Key

TTYHRJIPESAEKE-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02650242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

661.81

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.00

Polar Surface Area

118.540

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

A0070609 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 A0070609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070609?
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What is the minimum amount of A0070609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070609
  • 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 A0070609 available by request