2036-1052 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-1,3-benzoxazole

2036-1052 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-1,3-benzoxazole
2036-1052 Screening compound: 2-[4-(4-nitrophenoxy)phenyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-1052
2-[4-(4-nitrophenoxy)phenyl]-1,3-benzoxazole

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

2036-1052

Molecular Formula

C19H12N2O4 (C19 H12 N2 O4)

Compound Name

2-[4-(4-nitrophenoxy)phenyl]-1,3-benzoxazole

IUPAC name

2-[4-(4-nitrophenoxy)phenyl]-13-benzoxazole

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)ccc1-c1nc(cccc2)c2o1)=O

InChI

InChI=1S/C19H12N2O4/c22-21(23)14-7-11-16(12-8-14)24-15-9-5-13(6-10-15)19-20-17-3-1-2-4-18(17)25-19/h1-12H

InChI Key

HZKKAQJPNDZFPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00375483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.375

Distribution Coefficient, logD

5.375

Water Solubility, LogSw

-5.91

Polar Surface Area

57.178

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2036-1052 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2036-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-1052?
Check Price and Availability of 2036-1052, 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 2036-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-1052
  • 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 2036-1052 available by request