A0070843 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0070843 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0070843 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070843
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-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

A0070843

Molecular Formula

C27H25BrN6O4S (C27 H25 BrN6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(N(C(C2)c(cc3)ccc3OC)N=C2c(cc2)ccc2Br)=O)nnc1CNC(c1ccco1)=O

InChI

InChI=1S/C27H25BrN6O4S/c1-33-24(15-29-26(36)23-4-3-13-38-23)30-31-27(33)39-16-25(35)34-22(18-7-11-20(37-2)12-8-18)14-21(32-34)17-5-9-19(28)10-6-17/h3-13,22H,14-16H2,1-2H3,(H,29,36)/t22-/m1/s1

InChI Key

ATUKXECLQAKJMJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02650434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.11

Polar Surface Area

93.454

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with A0070843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070843?
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What is the minimum amount of A0070843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070843
  • 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 A0070843 available by request