D381-0474 Screening compound: 5-chloro-3,6-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide

D381-0474 Screening compound: 5-chloro-3,6-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
D381-0474 Screening compound: 5-chloro-3,6-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0474
5-chloro-3,6-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide

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

D381-0474

Molecular Formula

C21H17ClN2O2 (C21 H17 ClN2 O2)

Compound Name

5-chloro-3,6-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide

IUPAC name

5-chloro-36-dimethyl-N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide

SMILES

Cc(c1c2)c(C(Nc3cccc4ccc(C)nc34)=O)oc1cc(C)c2Cl

InChI

InChI=1S/C21H17ClN2O2/c1-11-9-18-15(10-16(11)22)13(3)20(26-18)21(25)24-17-6-4-5-14-8-7-12(2)23-19(14)17/h4-10H,1-3H3,(H,24,25)

InChI Key

VHFAIWHOTJWWLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08547331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.280

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-6.51

Polar Surface Area

40.065

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D381-0474 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 D381-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0474?
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What is the minimum amount of D381-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0474
  • 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 D381-0474 available by request