1999-0007 Screening compound: N-(4-methoxyphenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

1999-0007 Screening compound: N-(4-methoxyphenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
1999-0007 Screening compound: N-(4-methoxyphenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1999-0007
N-(4-methoxyphenyl)-5-methyl-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

1999-0007

Molecular Formula

C14H13N3O3S2 (C14 H13 N3 O3 S2)

Compound Name

N-(4-methoxyphenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-(4-methoxyphenyl)-5-methyl-213-benzothiadiazole-4-sulfonamide

SMILES

Cc(ccc1nsnc11)c1S(Nc(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C14H13N3O3S2/c1-9-3-8-12-13(16-21-15-12)14(9)22(18,19)17-10-4-6-11(20-2)7-5-10/h3-8,17H,1-2H3

InChI Key

RYVRJVCOFPVUBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01077493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.73

Polar Surface Area

69.384

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1999-0007 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 1999-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1999-0007?
Check Price and Availability of 1999-0007, 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 1999-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1999-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1999-0007
  • 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 1999-0007 available by request