2078-0020 Screening compound: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

2078-0020 Screening compound: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
2078-0020 Screening compound: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2078-0020
2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

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

2078-0020

Molecular Formula

C27H16BrCl3N2O2 (C27 H16 BrCl3 N2 O2)

Compound Name

2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

IUPAC name

2-bromo-4-[(2-chlorophenyl)methyl]-6-[(E)-{[2-(23-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

Oc(c(/C=N/c(cc1)cc2c1oc(-c(cccc1Cl)c1Cl)n2)cc(Cc(cccc1)c1Cl)c1)c1Br

InChI

InChI=1S/C27H16BrCl3N2O2/c28-20-12-15(10-16-4-1-2-6-21(16)29)11-17(26(20)34)14-32-18-8-9-24-23(13-18)33-27(35-24)19-5-3-7-22(30)25(19)31/h1-9,11-14,34H,10H2

InChI Key

QVJZOIADXSKKNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.7

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

8.886

Distribution Coefficient, logD

8.558

Water Solubility, LogSw

-6.61

Polar Surface Area

40.384

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

2078-0020 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2078-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2078-0020?
Check Price and Availability of 2078-0020, 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 2078-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2078-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2078-0020
  • 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 2078-0020 available by request