1653-0002 Screening compound: 2-acetyl-7-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

1653-0002 Screening compound: 2-acetyl-7-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
1653-0002 Screening compound: 2-acetyl-7-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1653-0002
2-acetyl-7-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

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

1653-0002

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

2-acetyl-7-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

IUPAC name

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

SMILES

CC(N(C(C1CC2)c(cc3)ccc3OC)N=C1c(cc1)c2cc1OC)=O

InChI

InChI=1S/C21H22N2O3/c1-13(24)23-21(14-4-7-16(25-2)8-5-14)19-10-6-15-12-17(26-3)9-11-18(15)20(19)22-23/h4-5,7-9,11-12,19,21H,6,10H2,1-3H3

InChI Key

IMUQWZKRSYQNNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.51

Polar Surface Area

41.376

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

1653-0002 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1653-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1653-0002?
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What is the minimum amount of 1653-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1653-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1653-0002
  • 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 1653-0002 available by request