D470-0342 Screening compound: 1-(3-bromobenzoyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

D470-0342 Screening compound: 1-(3-bromobenzoyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline
D470-0342 Screening compound: 1-(3-bromobenzoyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0342
1-(3-bromobenzoyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

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

D470-0342

Molecular Formula

C18H13BrN2O (C18 H13 BrN2 O)

Compound Name

1-(3-bromobenzoyl)-1H,2H,3H-pyrrolo[2,3-b]quinoline

IUPAC name

1-(3-bromobenzoyl)-1H2H3H-pyrrolo[23-b]quinoline

SMILES

O=C(c1cccc(Br)c1)N1c2nc3ccccc3cc2CC1

InChI

InChI=1S/C18H13BrN2O/c19-15-6-3-5-14(11-15)18(22)21-9-8-13-10-12-4-1-2-7-16(12)20-17(13)21/h1-7,10-11H,8-9H2

InChI Key

QYUAYRRMEPXBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.82

Polar Surface Area

25.531

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D470-0342 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D470-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0342?
Check Price and Availability of D470-0342, 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 D470-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0342
  • 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 D470-0342 available by request