3729-2475 Screening compound: 3-bromo-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

3729-2475 Screening compound: 3-bromo-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
3729-2475 Screening compound: 3-bromo-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2475
3-bromo-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

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

3729-2475

Molecular Formula

C21H13BrCl2N2O3 (C21 H13 BrCl2 N2 O3)

Compound Name

3-bromo-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

IUPAC name

3-bromo-N-[2-(24-dichlorophenyl)-13-benzoxazol-5-yl]-4-methoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)cc2c1oc(-c(ccc(Cl)c1)c1Cl)n2)=O)c1)c1Br

InChI

InChI=1S/C21H13BrCl2N2O3/c1-28-18-6-2-11(8-15(18)22)20(27)25-13-4-7-19-17(10-13)26-21(29-19)14-5-3-12(23)9-16(14)24/h2-10H,1H3,(H,25,27)

InChI Key

PAGUXSQRAWQUHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.311

Distribution Coefficient, logD

6.307

Water Solubility, LogSw

-6.29

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3729-2475 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 3729-2475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2475?
Check Price and Availability of 3729-2475, 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 3729-2475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2475
  • 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 3729-2475 available by request