D137-0586 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(2-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0586 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(2-ethylphenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0586 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(2-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 D137-0586
6-(3-chloro-4-methoxyphenyl)-N-(2-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

D137-0586

Molecular Formula

C23H26ClN5O2S (C23 H26 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc(n1NC2c(cc3)cc(Cl)c3OC)nnc1SC2C(Nc1c(CC)cccc1)=O

InChI

InChI=1S/C23H26ClN5O2S/c1-4-8-19-26-27-23-29(19)28-20(15-11-12-18(31-3)16(24)13-15)21(32-23)22(30)25-17-10-7-6-9-14(17)5-2/h6-7,9-13,20-21,28H,4-5,8H2,1-3H3,(H,25,30)

InChI Key

UDGLRUMGXVLPKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-5.43

Polar Surface Area

67.963

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 D137-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0586
  • 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 D137-0586 available by request