Y021-1083 Screening compound: 2,2,4,7-tetramethyl-6-{[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-1,2,3,4-tetrahydroquinoline

Y021-1083 Screening compound: 2,2,4,7-tetramethyl-6-{[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-1,2,3,4-tetrahydroquinoline
Y021-1083 Screening compound: 2,2,4,7-tetramethyl-6-{[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1083
2,2,4,7-tetramethyl-6-{[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

Y021-1083

Molecular Formula

C18H21N5 (C18 H21 N5)

Compound Name

2,2,4,7-tetramethyl-6-{[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-1,2,3,4-tetrahydroquinoline

IUPAC name

2247-tetramethyl-6-{[124]triazolo[15-a]pyrimidin-7-yl}-1234-tetrahydroquinoline

SMILES

CC1c2cc(-c3ccnc4ncnn34)c(C)cc2NC(C)(C)C1

InChI

InChI=1S/C18H21N5/c1-11-7-15-13(12(2)9-18(3,4)22-15)8-14(11)16-5-6-19-17-20-10-21-23(16)17/h5-8,10,12,22H,9H2,1-4H3/t12-/m0/s1

InChI Key

LFBQWQCGYOJGRW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD31538211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.33

Polar Surface Area

42.353

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

Y021-1083 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y021-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1083?
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What is the minimum amount of Y021-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1083
  • 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 Y021-1083 available by request