8008-9655 Screening compound: N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide

8008-9655 Screening compound: N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
8008-9655 Screening compound: N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9655
N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-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

8008-9655

Molecular Formula

C22H17IN2OS2 (C22 H17 IN2 OS2)

Compound Name

N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide

IUPAC name

N-(2-{[(4-iodophenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(cc1)cc2c1nc(SCc(cc1)ccc1I)s2)=O

InChI

InChI=1S/C22H17IN2OS2/c1-14-4-2-3-5-18(14)21(26)24-17-10-11-19-20(12-17)28-22(25-19)27-13-15-6-8-16(23)9-7-15/h2-12H,13H2,1H3,(H,24,26)

InChI Key

ZHRHRAFJIFXWIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.894

Distribution Coefficient, logD

6.892

Water Solubility, LogSw

-5.64

Polar Surface Area

32.140

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8008-9655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9655?
Check Price and Availability of 8008-9655, 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 8008-9655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9655
  • 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 8008-9655 available by request