D137-0177 Screening compound: N-(4-ethylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide

D137-0177 Screening compound: N-(4-ethylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide
D137-0177 Screening compound: N-(4-ethylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D137-0177
N-(4-ethylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide

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

D137-0177

Molecular Formula

C24H27N5OS (C24 H27 N5 OS)

Compound Name

N-(4-ethylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide

IUPAC name

N-(4-ethylphenyl)-3-phenyl-57-dihydrospiro[[124]triazolo[34-b][134]thiadiazine-61'-cyclohexane]-7-carboxamide

SMILES

CCc(cc1)ccc1NC(C1Sc2nnc(-c3ccccc3)n2NC11CCCCC1)=O

InChI

InChI=1S/C24H27N5OS/c1-2-17-11-13-19(14-12-17)25-22(30)20-24(15-7-4-8-16-24)28-29-21(26-27-23(29)31-20)18-9-5-3-6-10-18/h3,5-6,9-14,20,28H,2,4,7-8,15-16H2,1H3,(H,25,30)/t20-/m1/s1

InChI Key

HLQHPBMYATVXKH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09426717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.20

Polar Surface Area

60.062

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D137-0177 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D137-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0177?
Check Price and Availability of D137-0177, 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 D137-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0177
  • 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 D137-0177 available by request