1653-0003 Screening compound: 1-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]propan-1-one

1653-0003 Screening compound: 1-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]propan-1-one
1653-0003 Screening compound: 1-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1653-0003
1-[7-methoxy-3-(4-methoxyphenyl)-2H,3H,3aH,4H,5H-benzo[g]indazol-2-yl]propan-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

1653-0003

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-4-20(25)24-22(14-5-8-16(26-2)9-6-14)19-11-7-15-13-17(27-3)10-12-18(15)21(19)23-24/h5-6,8-10,12-13,19,22H,4,7,11H2,1-3H3

InChI Key

WJBLELSTGSNILW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01242300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.66

Polar Surface Area

40.381

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

1653-0003 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 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 1653-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1653-0003?
Check Price and Availability of 1653-0003, 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 1653-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1653-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1653-0003
  • 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 1653-0003 available by request