1550-1013 Screening compound: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

1550-1013 Screening compound: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
1550-1013 Screening compound: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-1013
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-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

1550-1013

Molecular Formula

C21H15N3O4 (C21 H15 N3 O4)

Compound Name

N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

IUPAC name

N-[2-(2-methylphenyl)-13-benzoxazol-5-yl]-4-nitrobenzamide

SMILES

Cc(cccc1)c1-c1nc(cc(cc2)NC(c(cc3)ccc3[N+]([O-])=O)=O)c2o1

InChI

InChI=1S/C21H15N3O4/c1-13-4-2-3-5-17(13)21-23-18-12-15(8-11-19(18)28-21)22-20(25)14-6-9-16(10-7-14)24(26)27/h2-12H,1H3,(H,22,25)

InChI Key

HRJHKFGISMPLEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.49

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 1550-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-1013?
Check Price and Availability of 1550-1013, 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 1550-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-1013
  • 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 1550-1013 available by request