2081-0713 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-tert-butylbenzamide

2081-0713 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-tert-butylbenzamide
2081-0713 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0713
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-tert-butylbenzamide

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

2081-0713

Molecular Formula

C24H20BrClN2O2 (C24 H20 BrClN2 O2)

Compound Name

N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-tert-butylbenzamide

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2)=O

InChI

InChI=1S/C24H20BrClN2O2/c1-24(2,3)15-6-4-14(5-7-15)22(29)27-17-9-11-21-20(13-17)28-23(30-21)18-12-16(25)8-10-19(18)26/h4-13H,1-3H3,(H,27,29)

InChI Key

HYZPRUKGJCJBST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.79

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

7.693

Distribution Coefficient, logD

7.692

Water Solubility, LogSw

-6.60

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2081-0713 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2081-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0713?
Check Price and Availability of 2081-0713, 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 2081-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0713
  • 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 2081-0713 available by request