D399-0136 Screening compound: 4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

D399-0136 Screening compound: 4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
D399-0136 Screening compound: 4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0136
4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

D399-0136

Molecular Formula

C17H17N3O2S2 (C17 H17 N3 O2 S2)

Compound Name

4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

Cc1ccc(C(CCC2)N2S(c2cccc3nsnc23)(=O)=O)cc1

InChI

InChI=1S/C17H17N3O2S2/c1-12-7-9-13(10-8-12)15-5-3-11-20(15)24(21,22)16-6-2-4-14-17(16)19-23-18-14/h2,4,6-10,15H,3,5,11H2,1H3/t15-/m0/s1

InChI Key

DAXSIVROFXFWOL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.81

Polar Surface Area

53.467

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D399-0136 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D399-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0136?
Check Price and Availability of D399-0136, 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 D399-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0136
  • 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 D399-0136 available by request