1315-0414 Screening compound: (E)-1-(2,4-dichlorophenyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]methanimine

1315-0414 Screening compound: (E)-1-(2,4-dichlorophenyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]methanimine
1315-0414 Screening compound: (E)-1-(2,4-dichlorophenyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0414
(E)-1-(2,4-dichlorophenyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]methanimine

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

1315-0414

Molecular Formula

C20H11Cl2IN2O (C20 H11 Cl2 IN2 O)

Compound Name

(E)-1-(2,4-dichlorophenyl)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]methanimine

IUPAC name

(E)-1-(24-dichlorophenyl)-N-[2-(3-iodophenyl)-13-benzoxazol-5-yl]methanimine

SMILES

Clc1cc(Cl)c(/C=N/c(cc2)cc3c2oc(-c2cccc(I)c2)n3)cc1

InChI

InChI=1S/C20H11Cl2IN2O/c21-14-5-4-13(17(22)9-14)11-24-16-6-7-19-18(10-16)25-20(26-19)12-2-1-3-15(23)8-12/h1-11H

InChI Key

YTCUWSNHIGMICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.13

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.397

Distribution Coefficient, logD

7.397

Water Solubility, LogSw

-7.00

Polar Surface Area

25.176

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1315-0414 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1315-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0414?
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What is the minimum amount of 1315-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0414
  • 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 1315-0414 available by request