A0070750 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0070750 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0070750 Screening compound: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070750
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-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

A0070750

Molecular Formula

C33H29ClN6O5S (C33 H29 ClN6 O5 S)

Compound Name

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

IUPAC name

N-{[5-({2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

COc1ccc(C(C2)N(C(CSc3nnc(CNC(c4ccco4)=O)n3-c3cccc(Cl)c3)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C33H29ClN6O5S/c1-43-25-12-8-21(9-13-25)27-18-28(22-10-14-26(44-2)15-11-22)40(38-27)31(41)20-46-33-37-36-30(19-35-32(42)29-7-4-16-45-29)39(33)24-6-3-5-23(34)17-24/h3-17,28H,18-20H2,1-2H3,(H,35,42)/t28-/m0/s1

InChI Key

VGMRKLBBHZGJCV-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02650358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.15

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-6.17

Polar Surface Area

100.660

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with A0070750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070750?
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What is the minimum amount of A0070750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070750
  • 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 A0070750 available by request