Y021-1078 Screening compound: 2,2,4,7-tetramethyl-6-[2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,2,3,4-tetrahydroquinoline

Y021-1078 Screening compound: 2,2,4,7-tetramethyl-6-[2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,2,3,4-tetrahydroquinoline
Y021-1078 Screening compound: 2,2,4,7-tetramethyl-6-[2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1078
2,2,4,7-tetramethyl-6-[2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,2,3,4-tetrahydroquinoline

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

Y021-1078

Molecular Formula

C23H24N6 (C23 H24 N6)

Compound Name

2,2,4,7-tetramethyl-6-[2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,2,3,4-tetrahydroquinoline

IUPAC name

2247-tetramethyl-6-[2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]-1234-tetrahydroquinoline

SMILES

CC1c2cc(-c3ccnc4nc(-c5cnccc5)nn34)c(C)cc2NC(C)(C)C1

InChI

InChI=1S/C23H24N6/c1-14-10-19-17(15(2)12-23(3,4)27-19)11-18(14)20-7-9-25-22-26-21(28-29(20)22)16-6-5-8-24-13-16/h5-11,13,15,27H,12H2,1-4H3/t15-/m0/s1

InChI Key

FZAIHNZUUPHIRZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31538206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.49

Polar Surface Area

50.658

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

Y021-1078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y021-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1078
  • 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 Y021-1078 available by request