D137-0446 Screening compound: N-(2-ethylphenyl)-6-(4-methylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0446 Screening compound: N-(2-ethylphenyl)-6-(4-methylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0446 Screening compound: N-(2-ethylphenyl)-6-(4-methylphenyl)-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 D137-0446
N-(2-ethylphenyl)-6-(4-methylphenyl)-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

D137-0446

Molecular Formula

C23H27N5OS (C23 H27 N5 OS)

Compound Name

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

IUPAC name

N-(2-ethylphenyl)-6-(4-methylphenyl)-3-propyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

CCCc(n1NC2c3ccc(C)cc3)nnc1SC2C(Nc1c(CC)cccc1)=O

InChI

InChI=1S/C23H27N5OS/c1-4-8-19-25-26-23-28(19)27-20(17-13-11-15(3)12-14-17)21(30-23)22(29)24-18-10-7-6-9-16(18)5-2/h6-7,9-14,20-21,27H,4-5,8H2,1-3H3,(H,24,29)

InChI Key

OOASVHFYOGFVDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09426613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.57

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

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.49

Polar Surface Area

60.333

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D137-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0446?
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What is the minimum amount of D137-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0446
  • 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 D137-0446 available by request