Y041-3696 Screening compound: 1-{6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-(1H-indol-1-yl)ethan-1-one

Y041-3696 Screening compound: 1-{6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-(1H-indol-1-yl)ethan-1-one
Y041-3696 Screening compound: 1-{6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-(1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3696
1-{6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-(1H-indol-1-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

Y041-3696

Molecular Formula

C21H18BrN3O (C21 H18 BrN3 O)

Compound Name

1-{6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-(1H-indol-1-yl)ethan-1-one

IUPAC name

1-{6-bromo-1H2H3H4H5H-pyrido[43-b]indol-2-yl}-2-(1H-indol-1-yl)ethan-1-one

SMILES

O=C(Cn(cc1)c2c1cccc2)N(CC1)Cc(c2ccc3)c1[nH]c2c3Br

InChI

InChI=1S/C21H18BrN3O/c22-17-6-3-5-15-16-12-25(11-9-18(16)23-21(15)17)20(26)13-24-10-8-14-4-1-2-7-19(14)24/h1-8,10,23H,9,11-13H2

InChI Key

CTMSERRFWPXDQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20529232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.13

Polar Surface Area

29.752

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y041-3696 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3696?
Check Price and Availability of Y041-3696, 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 Y041-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3696
  • 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 Y041-3696 available by request