Y021-1042 Screening compound: 6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline

Y021-1042 Screening compound: 6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline
Y021-1042 Screening compound: 6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1042
6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2,2,4,7-tetramethyl-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

Y021-1042

Molecular Formula

C28H35N5 (C28 H35 N5)

Compound Name

6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline

IUPAC name

6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2247-tetramethyl-1234-tetrahydroquinoline

SMILES

CC1c2cc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)cc2NC(C)(C)C1

InChI

InChI=1S/C28H35N5/c1-20-16-26-24(21(2)18-28(3,4)31-26)17-23(20)25-10-11-29-27(30-25)33-14-12-32(13-15-33)19-22-8-6-5-7-9-22/h5-11,16-17,21,31H,12-15,18-19H2,1-4H3/t21-/m0/s1

InChI Key

BBLQEWLUKBAHME-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31538166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.67

Polar Surface Area

36.089

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y021-1042 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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 Y021-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1042?
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What is the minimum amount of Y021-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1042
  • 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 Y021-1042 available by request