0263-0282 Screening compound: METHYL 4-[5-(ACETYLAMINO)-1,3-BENZOXAZOL-2-YL]BENZOATE

0263-0282 Screening compound: METHYL 4-[5-(ACETYLAMINO)-1,3-BENZOXAZOL-2-YL]BENZOATE
0263-0282 Screening compound: METHYL 4-[5-(ACETYLAMINO)-1,3-BENZOXAZOL-2-YL]BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0263-0282
METHYL 4-[5-(ACETYLAMINO)-1,3-BENZOXAZOL-2-YL]BENZOATE

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

0263-0282

Molecular Formula

C17H14N2O4 (C17 H14 N2 O4)

Compound Name

METHYL 4-[5-(ACETYLAMINO)-1,3-BENZOXAZOL-2-YL]BENZOATE

IUPAC name

methyl 4-(5-acetamido-13-benzoxazol-2-yl)benzoate

SMILES

CC(Nc(cc1)cc2c1oc(-c(cc1)ccc1C(OC)=O)n2)=O

InChI

InChI=1S/C17H14N2O4/c1-10(20)18-13-7-8-15-14(9-13)19-16(23-15)11-3-5-12(6-4-11)17(21)22-2/h3-9H,1-2H3,(H,18,20)

InChI Key

RWUGLXDMEWGCBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00397800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.39

Polar Surface Area

61.484

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

0263-0282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 0263-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0263-0282?
Check Price and Availability of 0263-0282, 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 0263-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0263-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0263-0282
  • 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 0263-0282 available by request