2783-5181 Screening compound: 4-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

2783-5181 Screening compound: 4-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
2783-5181 Screening compound: 4-chloro-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2783-5181
4-chloro-N-[2-(3-iodophenyl)-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

2783-5181

Molecular Formula

C20H11ClIN3O4 (C20 H11 ClIN3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(cc1)C(Nc(cc2)cc3c2oc(-c2cccc(I)c2)n3)=O)c1Cl)=O

InChI

InChI=1S/C20H11ClIN3O4/c21-15-6-4-11(9-17(15)25(27)28)19(26)23-14-5-7-18-16(10-14)24-20(29-18)12-2-1-3-13(22)8-12/h1-10H,(H,23,26)

InChI Key

JWNFIKSWOXYCSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.68

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

5.793

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-6.23

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2783-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2783-5181?
Check Price and Availability of 2783-5181, 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 2783-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2783-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2783-5181
  • 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 2783-5181 available by request