Y031-5936 Screening compound: 2,2-dimethyl-1-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one

Y031-5936 Screening compound: 2,2-dimethyl-1-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one
Y031-5936 Screening compound: 2,2-dimethyl-1-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5936
2,2-dimethyl-1-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one

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

Y031-5936

Molecular Formula

C20H28N2O2 (C20 H28 N2 O2)

Compound Name

2,2-dimethyl-1-[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one

IUPAC name

22-dimethyl-1-[4-(1234-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]propan-1-one

SMILES

CC(C)(C)C(N(CC1)CCC1C(N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C20H28N2O2/c1-20(2,3)19(24)21-11-9-16(10-12-21)18(23)22-13-8-15-6-4-5-7-17(15)14-22/h4-7,16H,8-14H2,1-3H3

InChI Key

PDKNKEWVARFIDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-2.97

Polar Surface Area

33.468

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y031-5936 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5936?
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What is the minimum amount of Y031-5936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5936
  • 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 Y031-5936 available by request