1140-0005 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

1140-0005 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
1140-0005 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1140-0005
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-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

1140-0005

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-c1nc(cc(cc2)NC(c(cc3)cc(C)c3[N+]([O-])=O)=O)c2o1

InChI

InChI=1S/C23H19N3O4/c1-3-15-4-6-16(7-5-15)23-25-19-13-18(9-11-21(19)30-23)24-22(27)17-8-10-20(26(28)29)14(2)12-17/h4-13H,3H2,1-2H3,(H,24,27)

InChI Key

JDYDJHMJSFIISL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00702405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.889

Water Solubility, LogSw

-5.42

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

1140-0005 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 1140-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1140-0005?
Check Price and Availability of 1140-0005, 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 1140-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1140-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1140-0005
  • 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 1140-0005 available by request