0957-0238 Screening compound: 2-[(E)-{[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

0957-0238 Screening compound: 2-[(E)-{[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol
0957-0238 Screening compound: 2-[(E)-{[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0238
2-[(E)-{[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

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

0957-0238

Molecular Formula

C21H15N3O5 (C21 H15 N3 O5)

Compound Name

2-[(E)-{[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

IUPAC name

2-[(E)-{[4-(5-methoxy-13-benzoxazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

SMILES

COc(cc1)cc2c1oc(-c(cc1)ccc1/N=C/c(cc(cc1)[N+]([O-])=O)c1O)n2

InChI

InChI=1S/C21H15N3O5/c1-28-17-7-9-20-18(11-17)23-21(29-20)13-2-4-15(5-3-13)22-12-14-10-16(24(26)27)6-8-19(14)25/h2-12,25H,1H3

InChI Key

QFEUCYYPKRQLRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-4.24

Polar Surface Area

82.650

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0957-0238 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 0957-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0238?
Check Price and Availability of 0957-0238, 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 0957-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0238
  • 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 0957-0238 available by request