2973-0080 Screening compound: 6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

2973-0080 Screening compound: 6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
2973-0080 Screening compound: 6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2973-0080
6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

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

2973-0080

Molecular Formula

C34H28ClN3O4 (C34 H28 ClN3 O4)

Compound Name

6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-chloro-3-[1-(2-methoxy-2-phenylacetyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-3-yl]-4-phenyl-12-dihydroquinolin-2-one

SMILES

COC(C(N(C(C1)c(cccc2)c2OC)N=C1C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)c1ccccc1

InChI

InChI=1S/C34H28ClN3O4/c1-41-29-16-10-9-15-24(29)28-20-27(37-38(28)34(40)32(42-2)22-13-7-4-8-14-22)31-30(21-11-5-3-6-12-21)25-19-23(35)17-18-26(25)36-33(31)39/h3-19,28,32H,20H2,1-2H3,(H,36,39)

InChI Key

ZOQSHPVDIFXNAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02083667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-6.28

Polar Surface Area

66.651

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.70

2973-0080 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2973-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2973-0080?
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What is the minimum amount of 2973-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2973-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2973-0080
  • 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 2973-0080 available by request