4811-0509 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

4811-0509 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
4811-0509 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4811-0509
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

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

4811-0509

Molecular Formula

C21H15BrN2O2 (C21 H15 BrN2 O2)

Compound Name

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

IUPAC name

N-[2-(2-bromophenyl)-13-benzoxazol-5-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc3c2oc(-c(cccc2)c2Br)n3)=O)c1

InChI

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

InChI Key

HIARSAXLSJWBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00294683

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

5.184

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.05

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4811-0509 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4811-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4811-0509?
Check Price and Availability of 4811-0509, 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 4811-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4811-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4811-0509
  • 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 4811-0509 available by request