2338-3598 Screening compound: (2Z)-N-benzyl-2-[(2,4-dichlorophenyl)imino]-2H-chromene-3-carboxamide

2338-3598 Screening compound: (2Z)-N-benzyl-2-[(2,4-dichlorophenyl)imino]-2H-chromene-3-carboxamide
2338-3598 Screening compound: (2Z)-N-benzyl-2-[(2,4-dichlorophenyl)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2338-3598
(2Z)-N-benzyl-2-[(2,4-dichlorophenyl)imino]-2H-chromene-3-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

2338-3598

Molecular Formula

C23H16Cl2N2O2 (C23 H16 Cl2 N2 O2)

Compound Name

(2Z)-N-benzyl-2-[(2,4-dichlorophenyl)imino]-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-benzyl-2-[(24-dichlorophenyl)imino]-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2O/C1=N\c(ccc(Cl)c1)c1Cl)NCc1ccccc1

InChI

InChI=1S/C23H16Cl2N2O2/c24-17-10-11-20(19(25)13-17)27-23-18(12-16-8-4-5-9-21(16)29-23)22(28)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28)

InChI Key

UQKNXKFXSGPMLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.80

Polar Surface Area

39.660

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2338-3598 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 2338-3598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2338-3598?
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What is the minimum amount of 2338-3598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2338-3598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2338-3598
  • 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 2338-3598 available by request