Y031-7111 Screening compound: N-cyclooctyl-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide

Y031-7111 Screening compound: N-cyclooctyl-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide
Y031-7111 Screening compound: N-cyclooctyl-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7111
N-cyclooctyl-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide

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

Y031-7111

Molecular Formula

C18H27N5O3 (C18 H27 N5 O3)

Compound Name

N-cyclooctyl-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide

IUPAC name

N-cyclooctyl-3-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)propanamide

SMILES

CN(c1c(C(N2C)=O)n(CCC(NC3CCCCCCC3)=O)cn1)C2=O

InChI

InChI=1S/C18H27N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(12-19-16)11-10-14(24)20-13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,20,24)

InChI Key

WAXMJFCAMGDKJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.20

Polar Surface Area

67.467

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

Y031-7111 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-7111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7111?
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What is the minimum amount of Y031-7111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7111
  • 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 Y031-7111 available by request