3729-2811 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide

3729-2811 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide
3729-2811 Screening compound: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2811
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide

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

3729-2811

Molecular Formula

C20H13N3O5 (C20 H13 N3 O5)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide

IUPAC name

N-[4-(13-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)cc(O)c1-c1nc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C20H13N3O5/c24-17-11-13(21-19(25)12-5-8-14(9-6-12)23(26)27)7-10-15(17)20-22-16-3-1-2-4-18(16)28-20/h1-11,24H,(H,21,25)

InChI Key

AIHRTICCMHTAPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.36

Polar Surface Area

90.070

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3729-2811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2811?
Check Price and Availability of 3729-2811, 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 3729-2811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2811
  • 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 3729-2811 available by request