A0070378 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

A0070378 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
A0070378 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070378
N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

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

A0070378

Molecular Formula

C32H26FN7O5S2 (C32 H26 FN7 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(NCc(n1-c(cc2)ccc2[N+]([O-])=O)nnc1SCC(N(C(C1)c(cc2)ccc2F)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C32H26FN7O5S2/c1-45-27-6-3-2-5-24(27)31(42)34-18-29-35-36-32(38(29)22-12-14-23(15-13-22)40(43)44)47-19-30(41)39-26(20-8-10-21(33)11-9-20)17-25(37-39)28-7-4-16-46-28/h2-16,26H,17-19H2,1H3,(H,34,42)/t26-/m1/s1

InChI Key

HWURPVZCLYMFPN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02650067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

671.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-5.50

Polar Surface Area

119.024

Acid Dissociation Constant (pKa)

10.65

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 A0070378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070378?
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What is the minimum amount of A0070378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070378
  • 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 A0070378 available by request