8014-2753 Screening compound: 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one

8014-2753 Screening compound: 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one
8014-2753 Screening compound: 2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2753
2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-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

8014-2753

Molecular Formula

C22H21ClN2O2 (C22 H21 ClN2 O2)

Compound Name

2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one

IUPAC name

2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-4567-tetrahydro-2H-indazol-4-one

SMILES

CCc(n(-c(cc(cc1)Cl)c1OC)nc1CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C22H21ClN2O2/c1-3-18-22-17(11-15(12-20(22)26)14-7-5-4-6-8-14)24-25(18)19-13-16(23)9-10-21(19)27-2/h4-10,13,15H,3,11-12H2,1-2H3/t15-/m1/s1

InChI Key

VEBLGPRUAAIUHQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03768634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.39

Polar Surface Area

35.317

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8014-2753 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-2753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2753?
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What is the minimum amount of 8014-2753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2753
  • 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 8014-2753 available by request