2783-5043 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide

2783-5043 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide
2783-5043 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5043
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-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

2783-5043

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1nc(cccc2)c2o1)c1)c1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C21H14ClN3O4/c1-12-6-7-14(21-24-16-4-2-3-5-19(16)29-21)10-17(12)23-20(26)13-8-9-15(22)18(11-13)25(27)28/h2-11H,1H3,(H,23,26)

InChI Key

ILXYWTCQOTXZLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

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

4.977

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-5.24

Polar Surface Area

72.523

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2783-5043 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 2783-5043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5043?
Check Price and Availability of 2783-5043, 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 2783-5043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5043
  • 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 2783-5043 available by request