6395-0066 Screening compound: 1-[7-methoxy-3-(4-methylphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]ethan-1-one

6395-0066 Screening compound: 1-[7-methoxy-3-(4-methylphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]ethan-1-one
6395-0066 Screening compound: 1-[7-methoxy-3-(4-methylphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6395-0066
1-[7-methoxy-3-(4-methylphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]ethan-1-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

6395-0066

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

1-[7-methoxy-3-(4-methylphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]ethan-1-one

IUPAC name

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

SMILES

CC(N(C(C1CC2)c3ccc(C)cc3)N=C1c(cc1)c2cc1OC)=O

InChI

InChI=1S/C21H22N2O2/c1-13-4-6-15(7-5-13)21-19-10-8-16-12-17(25-3)9-11-18(16)20(19)22-23(21)14(2)24/h4-7,9,11-12,19,21H,8,10H2,1-3H3

InChI Key

DXAIUZVLCXFVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

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

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.67

Polar Surface Area

33.832

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

6395-0066 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 6395-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6395-0066?
Check Price and Availability of 6395-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6395-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6395-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6395-0066
  • 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 6395-0066 available by request