D137-0610 Screening compound: N-(2-ethylphenyl)-3-(phenoxymethyl)-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0610 Screening compound: N-(2-ethylphenyl)-3-(phenoxymethyl)-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0610 Screening compound: N-(2-ethylphenyl)-3-(phenoxymethyl)-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 D137-0610
N-(2-ethylphenyl)-3-(phenoxymethyl)-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

D137-0610

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(C1Sc2nnc(COc3ccccc3)n2NC1c1ccccc1)=O

InChI

InChI=1S/C26H25N5O2S/c1-2-18-11-9-10-16-21(18)27-25(32)24-23(19-12-5-3-6-13-19)30-31-22(28-29-26(31)34-24)17-33-20-14-7-4-8-15-20/h3-16,23-24,30H,2,17H2,1H3,(H,27,32)

InChI Key

AEMXBAQRHLMFGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

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

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-4.46

Polar Surface Area

67.560

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D137-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0610?
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What is the minimum amount of D137-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0610
  • 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 D137-0610 available by request