8012-4882 Screening compound: 2-phenyl-2H,3H,6H,11H-anthra[2,1-d][1,2]thiazole-3,6,11-trione

8012-4882 Screening compound: 2-phenyl-2H,3H,6H,11H-anthra[2,1-d][1,2]thiazole-3,6,11-trione
8012-4882 Screening compound: 2-phenyl-2H,3H,6H,11H-anthra[2,1-d][1,2]thiazole-3,6,11-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4882
2-phenyl-2H,3H,6H,11H-anthra[2,1-d][1,2]thiazole-3,6,11-trione

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

8012-4882

Molecular Formula

C21H11NO3S (C21 H11 NO3 S)

Compound Name

2-phenyl-2H,3H,6H,11H-anthra[2,1-d][1,2]thiazole-3,6,11-trione

IUPAC name

2-phenyl-2H3H6H11H-anthra[21-d][12]thiazole-3611-trione

SMILES

O=C(c1ccc2C(c3c4cccc3)=O)N(c3ccccc3)Sc1c2C4=O

InChI

InChI=1S/C21H11NO3S/c23-18-13-8-4-5-9-14(13)19(24)17-15(18)10-11-16-20(17)26-22(21(16)25)12-6-2-1-3-7-12/h1-11H

InChI Key

PMZQAIRCKWPDLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.98

Polar Surface Area

42.518

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-4882 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-4882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4882?
Check Price and Availability of 8012-4882, 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 8012-4882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4882
  • 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 8012-4882 available by request