1653-0013 Screening compound: 1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1-ethanone

1653-0013 Screening compound: 1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1-ethanone
1653-0013 Screening compound: 1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1653-0013
1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1-ethanone

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

1653-0013

Molecular Formula

C20H19FN2O2 (C20 H19 FN2 O2)

Compound Name

1-[3-(4-fluorophenyl)-7-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1-ethanone

IUPAC name

1-[3-(4-fluorophenyl)-7-methoxy-2H3H3aH4H5H-benzo[g]indazol-2-yl]ethan-1-one

SMILES

CC(N(C(C1CC2)c(cc3)ccc3F)N=C1c(cc1)c2cc1OC)=O

InChI

InChI=1S/C20H19FN2O2/c1-12(24)23-20(13-3-6-15(21)7-4-13)18-9-5-14-11-16(25-2)8-10-17(14)19(18)22-23/h3-4,6-8,10-11,18,20H,5,9H2,1-2H3

InChI Key

FQPFPFUBBUBDOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.54

Polar Surface Area

33.832

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

1653-0013 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1653-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1653-0013?
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What is the minimum amount of 1653-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1653-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1653-0013
  • 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 1653-0013 available by request