8017-4901 Screening compound: ethyl N-(2-{4-[(3-{6-methyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate

8017-4901 Screening compound: ethyl N-(2-{4-[(3-{6-methyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate
8017-4901 Screening compound: ethyl N-(2-{4-[(3-{6-methyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4901
ethyl N-(2-{4-[(3-{6-methyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate

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

8017-4901

Molecular Formula

C22H25N5O4S2 (C22 H25 N5 O4 S2)

Compound Name

ethyl N-(2-{4-[(3-{6-methyl-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate

IUPAC name

ethyl N-(2-{4-[(3-{6-methyl-5H6H-[124]triazolo[34-b][13]thiazol-3-yl}phenyl)sulfamoyl]phenyl}ethyl)carbamate

SMILES

CCOC(NCCc(cc1)ccc1S(Nc1cc(-c2nnc3SC(C)Cn23)ccc1)(=O)=O)=O

InChI

InChI=1S/C22H25N5O4S2/c1-3-31-22(28)23-12-11-16-7-9-19(10-8-16)33(29,30)26-18-6-4-5-17(13-18)20-24-25-21-27(20)14-15(2)32-21/h4-10,13,15,26H,3,11-12,14H2,1-2H3,(H,23,28)/t15-/m1/s1

InChI Key

JNCDDTKISYYERY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06017279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.85

Polar Surface Area

97.381

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

8017-4901 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8017-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4901?
Check Price and Availability of 8017-4901, 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 8017-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4901
  • 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 8017-4901 available by request