1209-0133 Screening compound: 4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

1209-0133 Screening compound: 4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
1209-0133 Screening compound: 4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1209-0133
4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-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

1209-0133

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

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

IUPAC name

4-methyl-N-[2-(3-methylphenyl)-13-benzoxazol-5-yl]-3-nitrobenzamide

SMILES

Cc1cccc(-c2nc(cc(cc3)NC(c4cc([N+]([O-])=O)c(C)cc4)=O)c3o2)c1

InChI

InChI=1S/C22H17N3O4/c1-13-4-3-5-16(10-13)22-24-18-12-17(8-9-20(18)29-22)23-21(26)15-7-6-14(2)19(11-15)25(27)28/h3-12H,1-2H3,(H,23,26)

InChI Key

FTASQJGDCMQHIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

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

5.185

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.08

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1209-0133 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1209-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1209-0133?
Check Price and Availability of 1209-0133, 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 1209-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1209-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1209-0133
  • 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 1209-0133 available by request