Y041-3763 Screening compound: 4-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-2-methyl-1,2-dihydroisoquinolin-1-one

Y041-3763 Screening compound: 4-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-2-methyl-1,2-dihydroisoquinolin-1-one
Y041-3763 Screening compound: 4-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-2-methyl-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3763
4-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-2-methyl-1,2-dihydroisoquinolin-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

Y041-3763

Molecular Formula

C22H18ClN3O2 (C22 H18 ClN3 O2)

Compound Name

4-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-2-methyl-1,2-dihydroisoquinolin-1-one

IUPAC name

4-{8-chloro-1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}-2-methyl-12-dihydroisoquinolin-1-one

SMILES

CN(C=C(C(N(CC1)Cc2c1[nH]c(cc1)c2cc1Cl)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C22H18ClN3O2/c1-25-11-18(14-4-2-3-5-15(14)21(25)27)22(28)26-9-8-20-17(12-26)16-10-13(23)6-7-19(16)24-20/h2-7,10-11,24H,8-9,12H2,1H3

InChI Key

XMXVRSLZIRXQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20529317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-3.60

Polar Surface Area

43.347

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y041-3763 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y041-3763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3763?
Check Price and Availability of Y041-3763, 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 Y041-3763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3763
  • 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 Y041-3763 available by request