2154-0212 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,5-diiodobenzamide

2154-0212 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,5-diiodobenzamide
2154-0212 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,5-diiodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0212
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,5-diiodobenzamide

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

2154-0212

Molecular Formula

C20H12I2N2OS (C20 H12 I2 N2 OS)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,5-diiodobenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-25-diiodobenzamide

SMILES

O=C(c(cc(cc1)I)c1I)Nc(cc1)ccc1-c1nc(cccc2)c2s1

InChI

InChI=1S/C20H12I2N2OS/c21-13-7-10-16(22)15(11-13)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)

InChI Key

XADKPVBNMLJFRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.369

Distribution Coefficient, logD

7.367

Water Solubility, LogSw

-6.25

Polar Surface Area

32.779

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2154-0212 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2154-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0212?
Check Price and Availability of 2154-0212, 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 2154-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0212
  • 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 2154-0212 available by request