A0070605 Screening compound: 4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070605 Screening compound: 4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070605 Screening compound: 4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-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 A0070605
4-(diethylsulfamoyl)-N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-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

A0070605

Molecular Formula

C33H36FN7O5S2 (C33 H36 FN7 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)ccc1C(NCc(n1C)nnc1SCC(N(C(C1)c(cc2)ccc2F)N=C1c(cc1)ccc1OC)=O)=O)(=O)=O

InChI

InChI=1S/C33H36FN7O5S2/c1-5-40(6-2)48(44,45)27-17-11-24(12-18-27)32(43)35-20-30-36-37-33(39(30)3)47-21-31(42)41-29(23-7-13-25(34)14-8-23)19-28(38-41)22-9-15-26(46-4)16-10-22/h7-18,29H,5-6,19-21H2,1-4H3,(H,35,43)/t29-/m0/s1

InChI Key

YGDRWILEPXJMTA-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD02650238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

693.82

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.10

Polar Surface Area

115.972

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with A0070605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070605?
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What is the minimum amount of A0070605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070605
  • 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 A0070605 available by request