8004-3606 Screening compound: benzyl N-(4-iodophenyl)carbamate

8004-3606 Screening compound: benzyl N-(4-iodophenyl)carbamate
8004-3606 Screening compound: benzyl N-(4-iodophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3606
benzyl N-(4-iodophenyl)carbamate

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

8004-3606

Molecular Formula

C14H12INO2 (C14 H12 INO2)

Compound Name

benzyl N-(4-iodophenyl)carbamate

IUPAC name

benzyl N-(4-iodophenyl)carbamate

SMILES

O=C(Nc(cc1)ccc1I)OCc1ccccc1

InChI

InChI=1S/C14H12INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

InChI Key

IXSZDTNGTXGHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-5.09

Polar Surface Area

31.786

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8004-3606 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8004-3606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3606?
Check Price and Availability of 8004-3606, 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 8004-3606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3606
  • 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 8004-3606 available by request