T158-1337 Screening compound: 4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

T158-1337 Screening compound: 4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
T158-1337 Screening compound: 4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-1337
4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)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

T158-1337

Molecular Formula

C21H21N5O2S2 (C21 H21 N5 O2 S2)

Compound Name

4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

Cc1cnc(C(CC2)CN2S(c2cccc3nsnc23)(=O)=O)n1Cc1ccccc1

InChI

InChI=1S/C21H21N5O2S2/c1-15-12-22-21(26(15)13-16-6-3-2-4-7-16)17-10-11-25(14-17)30(27,28)19-9-5-8-18-20(19)24-29-23-18/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m1/s1

InChI Key

GWKIYISIMVYRKZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31994543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.67

Polar Surface Area

64.115

Acid Dissociation Constant (pKa)

24.11

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

T158-1337 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-1337?
Check Price and Availability of T158-1337, 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 T158-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-1337
  • 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 T158-1337 available by request