2079-0032 Screening compound: N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-chlorobenzamide

2079-0032 Screening compound: N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-chlorobenzamide
2079-0032 Screening compound: N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2079-0032
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-chlorobenzamide

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

2079-0032

Molecular Formula

C24H14BrClN2O2 (C24 H14 BrClN2 O2)

Compound Name

N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-chlorobenzamide

IUPAC name

N-[2-(5-bromonaphthalen-1-yl)-13-benzoxazol-5-yl]-3-chlorobenzamide

SMILES

O=C(c1cc(Cl)ccc1)Nc(cc1)cc2c1oc(-c1c(cccc3Br)c3ccc1)n2

InChI

InChI=1S/C24H14BrClN2O2/c25-20-9-3-6-17-18(20)7-2-8-19(17)24-28-21-13-16(10-11-22(21)30-24)27-23(29)14-4-1-5-15(26)12-14/h1-13H,(H,27,29)

InChI Key

SKAGOEZPTANIJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01166942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.875

Distribution Coefficient, logD

6.866

Water Solubility, LogSw

-6.70

Polar Surface Area

39.868

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2079-0032 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2079-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2079-0032?
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What is the minimum amount of 2079-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2079-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2079-0032
  • 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 2079-0032 available by request