C167-0046 Screening compound: 2-(5-chloro-2-thienyl)-N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide

C167-0046 Screening compound: 2-(5-chloro-2-thienyl)-N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide
C167-0046 Screening compound: 2-(5-chloro-2-thienyl)-N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0046
2-(5-chloro-2-thienyl)-N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide

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

C167-0046

Molecular Formula

C22H15ClN2O3S (C22 H15 ClN2 O3 S)

Compound Name

2-(5-chloro-2-thienyl)-N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide

IUPAC name

2-(5-chlorothiophen-2-yl)-N-(23-dihydro-14-benzodioxin-6-yl)quinoline-4-carboxamide

SMILES

O=C(c1cc(-c(s2)ccc2Cl)nc2ccccc12)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H15ClN2O3S/c23-21-8-7-20(29-21)17-12-15(14-3-1-2-4-16(14)25-17)22(26)24-13-5-6-18-19(11-13)28-10-9-27-18/h1-8,11-12H,9-10H2,(H,24,26)

InChI Key

UVBNOUTXISHANI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.96

Polar Surface Area

48.230

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

C167-0046 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C167-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0046?
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What is the minimum amount of C167-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0046
  • 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 C167-0046 available by request