8010-1541 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 3-iodobenzoate

8010-1541 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 3-iodobenzoate
8010-1541 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 3-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1541
4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 3-iodobenzoate

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

8010-1541

Molecular Formula

C21H14INO2S (C21 H14 INO2 S)

Compound Name

4-(6-methyl-1,3-benzothiazol-2-yl)phenyl 3-iodobenzoate

IUPAC name

4-(6-methyl-13-benzothiazol-2-yl)phenyl 3-iodobenzoate

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1OC(c1cccc(I)c1)=O)s2

InChI

InChI=1S/C21H14INO2S/c1-13-5-10-18-19(11-13)26-20(23-18)14-6-8-17(9-7-14)25-21(24)15-3-2-4-16(22)12-15/h2-12H,1H3

InChI Key

OHFFNVREDBKDHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.693

Distribution Coefficient, logD

6.693

Water Solubility, LogSw

-5.77

Polar Surface Area

30.065

Acid Dissociation Constant (pKa)

27.11

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

8010-1541 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-1541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1541?
Check Price and Availability of 8010-1541, 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 8010-1541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1541
  • 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 8010-1541 available by request