2335-0154 Screening compound: quinolin-8-yl 2-chloro-5-nitrobenzoate

2335-0154 Screening compound: quinolin-8-yl 2-chloro-5-nitrobenzoate
2335-0154 Screening compound: quinolin-8-yl 2-chloro-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2335-0154
quinolin-8-yl 2-chloro-5-nitrobenzoate

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

2335-0154

Molecular Formula

C16H9ClN2O4 (C16 H9 ClN2 O4)

Compound Name

quinolin-8-yl 2-chloro-5-nitrobenzoate

IUPAC name

quinolin-8-yl 2-chloro-5-nitrobenzoate

SMILES

[O-][N+](c(cc1)cc(C(Oc2cccc3cccnc23)=O)c1Cl)=O

InChI

InChI=1S/C16H9ClN2O4/c17-13-7-6-11(19(21)22)9-12(13)16(20)23-14-5-1-3-10-4-2-8-18-15(10)14/h1-9H

InChI Key

JDHHWQOTMUBCNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.50

Polar Surface Area

63.618

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2335-0154 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2335-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2335-0154?
Check Price and Availability of 2335-0154, 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 2335-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2335-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2335-0154
  • 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 2335-0154 available by request