D137-0465 Screening compound: N-(2,5-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0465 Screening compound: N-(2,5-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0465 Screening compound: N-(2,5-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D137-0465
N-(2,5-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-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

D137-0465

Molecular Formula

C24H29N5OS (C24 H29 N5 OS)

Compound Name

N-(2,5-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(25-dimethylphenyl)-6-(4-ethylphenyl)-3-propyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

CCCc(n1NC2c3ccc(CC)cc3)nnc1SC2C(Nc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C24H29N5OS/c1-5-7-20-26-27-24-29(20)28-21(18-12-10-17(6-2)11-13-18)22(31-24)23(30)25-19-14-15(3)8-9-16(19)4/h8-14,21-22,28H,5-7H2,1-4H3,(H,25,30)

InChI Key

OBTIDEVKRCBFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09426603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.53

Polar Surface Area

60.333

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

D137-0465 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D137-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0465?
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What is the minimum amount of D137-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0465
  • 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 D137-0465 available by request