C113-0389 Screening compound: N-(5,6,7,8-TETRAHYDRO-1-NAPHTHALENYL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

C113-0389 Screening compound: N-(5,6,7,8-TETRAHYDRO-1-NAPHTHALENYL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE
C113-0389 Screening compound: N-(5,6,7,8-TETRAHYDRO-1-NAPHTHALENYL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0389
N-(5,6,7,8-TETRAHYDRO-1-NAPHTHALENYL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

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

C113-0389

Molecular Formula

C16H15N3O2S2 (C16 H15 N3 O2 S2)

Compound Name

N-(5,6,7,8-TETRAHYDRO-1-NAPHTHALENYL)-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

IUPAC name

n/a

SMILES

O=S(c1cccc2nsnc12)(Nc1c(CCCC2)c2ccc1)=O

InChI

InChI=1S/C16H15N3O2S2/c20-23(21,15-10-4-9-14-16(15)18-22-17-14)19-13-8-3-6-11-5-1-2-7-12(11)13/h3-4,6,8-10,19H,1-2,5,7H2

InChI Key

OGMBKUTXAAQGMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.17

Polar Surface Area

61.063

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C113-0389 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 C113-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0389?
Check Price and Availability of C113-0389, 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 C113-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0389
  • 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 C113-0389 available by request