Y020-7040 Screening compound: 12-(3,4-dimethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

Y020-7040 Screening compound: 12-(3,4-dimethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one
Y020-7040 Screening compound: 12-(3,4-dimethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7040
12-(3,4-dimethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-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

Y020-7040

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

12-(3,4-dimethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

IUPAC name

9-(34-dimethoxyphenyl)-21017-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)11(16)1214-pentaen-7-one

SMILES

COc(ccc(C(C(C(CCC1)=O)=C1N1)n2c1nc1c2cccc1)c1)c1OC

InChI

InChI=1S/C22H21N3O3/c1-27-18-11-10-13(12-19(18)28-2)21-20-15(7-5-9-17(20)26)24-22-23-14-6-3-4-8-16(14)25(21)22/h3-4,6,8,10-12,21H,5,7,9H2,1-2H3,(H,23,24)/t21-/m0/s1

InChI Key

WTIRZANOODVIMZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04170230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.03

Polar Surface Area

52.862

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y020-7040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-7040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7040?
Check Price and Availability of Y020-7040, 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 Y020-7040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7040
  • 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 Y020-7040 available by request