A0070233 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070233 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070233 Screening compound: 2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070233
2-fluoro-N-{[4-(4-fluorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-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

A0070233

Molecular Formula

C32H26F2N6O3S2 (C32 H26 F2 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)N(C(CSc3nnc(CNC(c(cccc4)c4F)=O)n3-c(cc3)ccc3F)=O)N=C2c2cccs2)cc1

InChI

InChI=1S/C32H26F2N6O3S2/c1-43-23-14-8-20(9-15-23)27-17-26(28-7-4-16-44-28)38-40(27)30(41)19-45-32-37-36-29(39(32)22-12-10-21(33)11-13-22)18-35-31(42)24-5-2-3-6-25(24)34/h2-16,27H,17-19H2,1H3,(H,35,42)/t27-/m1/s1

InChI Key

ZSJWUJLMGSYHAN-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02649960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-5.60

Polar Surface Area

85.556

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

References: we are preparing a list of scientific research reports with A0070233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070233?
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What is the minimum amount of A0070233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070233
  • 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 A0070233 available by request