1539-0096 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide

1539-0096 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide
1539-0096 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1539-0096
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide

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

1539-0096

Molecular Formula

C21H15BrN2O2 (C21 H15 BrN2 O2)

Compound Name

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide

IUPAC name

N-[5-(13-benzoxazol-2-yl)-2-methylphenyl]-4-bromobenzamide

SMILES

Cc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C21H15BrN2O2/c1-13-6-7-15(21-24-17-4-2-3-5-19(17)26-21)12-18(13)23-20(25)14-8-10-16(22)11-9-14/h2-12H,1H3,(H,23,25)

InChI Key

GONVWAOKSANLRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.27

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

5.595

Distribution Coefficient, logD

5.595

Water Solubility, LogSw

-5.47

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1539-0096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1539-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1539-0096?
Check Price and Availability of 1539-0096, 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 1539-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1539-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1539-0096
  • 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 1539-0096 available by request