SC27-2076 Screening compound: 2-(2,5-dimethylbenzyl)-3-oxo-N-(2-pyrazinylmethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC27-2076 Screening compound: 2-(2,5-dimethylbenzyl)-3-oxo-N-(2-pyrazinylmethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC27-2076 Screening compound: 2-(2,5-dimethylbenzyl)-3-oxo-N-(2-pyrazinylmethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC27-2076
2-(2,5-dimethylbenzyl)-3-oxo-N-(2-pyrazinylmethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-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

SC27-2076

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

2-(2,5-dimethylbenzyl)-3-oxo-N-(2-pyrazinylmethyl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

2-[(25-dimethylphenyl)methyl]-3-oxo-N-[(pyrazin-2-yl)methyl]-2H3H5H6H7H8H-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

Cc1cc(CN2N=C(C(CCC3)C(NCc4nccnc4)=O)N3C2=O)c(C)cc1

InChI

InChI=1S/C21H24N6O2/c1-14-5-6-15(2)16(10-14)13-27-21(29)26-9-3-4-18(19(26)25-27)20(28)24-12-17-11-22-7-8-23-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,24,28)/t18-/m1/s1

InChI Key

MQWWJUIKDSVGDS-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.33

Polar Surface Area

75.680

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SC27-2076 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC27-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC27-2076?
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What is the minimum amount of SC27-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC27-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC27-2076
  • 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 SC27-2076 available by request