8009-7823 Screening compound: 4-(5-bromothiophen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one

8009-7823 Screening compound: 4-(5-bromothiophen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one
8009-7823 Screening compound: 4-(5-bromothiophen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7823
4-(5-bromothiophen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-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

8009-7823

Molecular Formula

C17H12BrNOS (C17 H12 BrNOS)

Compound Name

4-(5-bromothiophen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one

IUPAC name

4-(5-bromothiophen-2-yl)-1H2H3H4H-benzo[h]quinolin-2-one

SMILES

O=C(CC1c(s2)ccc2Br)Nc2c1ccc1ccccc12

InChI

InChI=1S/C17H12BrNOS/c18-15-8-7-14(21-15)13-9-16(20)19-17-11-4-2-1-3-10(11)5-6-12(13)17/h1-8,13H,9H2,(H,19,20)/t13-/m1/s1

InChI Key

FEGBKZGEVCTBNC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01605898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.473

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.79

Polar Surface Area

23.282

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8009-7823 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8009-7823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7823?
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What is the minimum amount of 8009-7823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7823
  • 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 8009-7823 available by request