D137-0166 Screening compound: N-(3-chloro-4-methylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide

D137-0166 Screening compound: N-(3-chloro-4-methylphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclohexane]-7-carboxamide
D137-0166 Screening compound: N-(3-chloro-4-methylphenyl)-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 D137-0166
N-(3-chloro-4-methylphenyl)-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

D137-0166

Molecular Formula

C23H24ClN5OS (C23 H24 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(C1Sc2nnc(-c3ccccc3)n2NC11CCCCC1)=O)c1)c1Cl

InChI

InChI=1S/C23H24ClN5OS/c1-15-10-11-17(14-18(15)24)25-21(30)19-23(12-6-3-7-13-23)28-29-20(26-27-22(29)31-19)16-8-4-2-5-9-16/h2,4-5,8-11,14,19,28H,3,6-7,12-13H2,1H3,(H,25,30)/t19-/m1/s1

InChI Key

VKIUPLCZXXGOPW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09426722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.893

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.89

Polar Surface Area

60.062

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D137-0166 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D137-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0166?
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What is the minimum amount of D137-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0166
  • 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 D137-0166 available by request