A0070771 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0070771 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0070771 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070771
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

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

A0070771

Molecular Formula

C33H26F4N6O4S (C33 H26 F4 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1C(CSc1nnc(CNC(c2ccco2)=O)n1-c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C33H26F4N6O4S/c1-46-25-13-9-20(10-14-25)26-17-27(21-7-11-23(34)12-8-21)43(41-26)30(44)19-48-32-40-39-29(18-38-31(45)28-6-3-15-47-28)42(32)24-5-2-4-22(16-24)33(35,36)37/h2-16,27H,17-19H2,1H3,(H,38,45)/t27-/m0/s1

InChI Key

BTZBJOFBOBFLCU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02650379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

678.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.60

Polar Surface Area

93.116

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with A0070771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070771?
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What is the minimum amount of A0070771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070771
  • 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 A0070771 available by request