Y031-7080 Screening compound: 1,3-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Y031-7080 Screening compound: 1,3-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Y031-7080 Screening compound: 1,3-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7080
1,3-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Y031-7080

Molecular Formula

C14H19N5O4 (C14 H19 N5 O4)

Compound Name

1,3-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-[3-(morpholin-4-yl)-3-oxopropyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCC(N3CCOCC3)=O)cn1)C2=O

InChI

InChI=1S/C14H19N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)4-3-10(20)18-5-7-23-8-6-18/h9H,3-8H2,1-2H3

InChI Key

QOZXJKQPAKUMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.997

Distribution Coefficient, logD

-0.997

Water Solubility, LogSw

-0.60

Polar Surface Area

67.240

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

Y031-7080 in Drug Discovery

Included in Screening Libraries

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

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 Y031-7080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7080?
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What is the minimum amount of Y031-7080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7080
  • 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 Y031-7080 available by request