8012-3365 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid

8012-3365 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid
8012-3365 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3365
2-(2,1,3-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid

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

8012-3365

Molecular Formula

C11H13N3O4S3 (C11 H13 N3 O4 S3)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C11H13N3O4S3/c1-19-6-5-8(11(15)16)14-21(17,18)9-4-2-3-7-10(9)13-20-12-7/h2-4,8,14H,5-6H2,1H3,(H,15,16)/t8-/m0/s1

InChI Key

SUDACGGCBAXTTK-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03035883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.774

Distribution Coefficient, logD

-2.989

Water Solubility, LogSw

-2.17

Polar Surface Area

91.473

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8012-3365 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8012-3365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3365?
Check Price and Availability of 8012-3365, 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 8012-3365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3365
  • 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 8012-3365 available by request