8004-1696 Screening compound: N-{4-[(2-iodoanilino)carbonyl]phenyl}-3-methylbenzamide

8004-1696 Screening compound: N-{4-[(2-iodoanilino)carbonyl]phenyl}-3-methylbenzamide
8004-1696 Screening compound: N-{4-[(2-iodoanilino)carbonyl]phenyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1696
N-{4-[(2-iodoanilino)carbonyl]phenyl}-3-methylbenzamide

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

8004-1696

Molecular Formula

C21H17IN2O2 (C21 H17 IN2 O2)

Compound Name

N-{4-[(2-iodoanilino)carbonyl]phenyl}-3-methylbenzamide

IUPAC name

N-{4-[(2-iodophenyl)carbamoyl]phenyl}-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)ccc2C(Nc(cccc2)c2I)=O)=O)c1

InChI

InChI=1S/C21H17IN2O2/c1-14-5-4-6-16(13-14)21(26)23-17-11-9-15(10-12-17)20(25)24-19-8-3-2-7-18(19)22/h2-13H,1H3,(H,23,26)(H,24,25)

InChI Key

FXGAXPLHTBOMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00364033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.61

Polar Surface Area

45.723

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

References: we are preparing a list of scientific research reports with 8004-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1696?
Check Price and Availability of 8004-1696, 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 8004-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1696
  • 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 8004-1696 available by request