4402-0329 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide

4402-0329 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide
4402-0329 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0329
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide

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

4402-0329

Molecular Formula

C19H13BrN2O3 (C19 H13 BrN2 O3)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)-2-methylphenyl]-5-bromofuran-2-carboxamide

SMILES

Cc(c(-c1nc(cccc2)c2o1)ccc1)c1NC(c(o1)ccc1Br)=O

InChI

InChI=1S/C19H13BrN2O3/c1-11-12(19-22-14-6-2-3-8-15(14)25-19)5-4-7-13(11)21-18(23)16-9-10-17(20)24-16/h2-10H,1H3,(H,21,23)

InChI Key

OMYOTJFITVMPPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.54

Polar Surface Area

48.368

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4402-0329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4402-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0329?
Check Price and Availability of 4402-0329, 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 4402-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0329
  • 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 4402-0329 available by request