D137-0211 Screening compound: N-(4-chlorophenyl)-3-ethyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0211 Screening compound: N-(4-chlorophenyl)-3-ethyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0211 Screening compound: N-(4-chlorophenyl)-3-ethyl-6-phenyl-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 D137-0211
N-(4-chlorophenyl)-3-ethyl-6-phenyl-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

D137-0211

Molecular Formula

C19H18ClN5OS (C19 H18 ClN5 OS)

Compound Name

N-(4-chlorophenyl)-3-ethyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(4-chlorophenyl)-3-ethyl-6-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

CCc(n1NC2c3ccccc3)nnc1SC2C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H18ClN5OS/c1-2-15-22-23-19-25(15)24-16(12-6-4-3-5-7-12)17(27-19)18(26)21-14-10-8-13(20)9-11-14/h3-11,16-17,24H,2H2,1H3,(H,21,26)

InChI Key

UECVJNKRKKJIRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

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

3.830

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.41

Polar Surface Area

61.031

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D137-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0211?
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What is the minimum amount of D137-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0211
  • 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 D137-0211 available by request