Y031-7073 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide

Y031-7073 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide
Y031-7073 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 Y031-7073
N-(5-chloro-2-methoxyphenyl)-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

Y031-7073

Molecular Formula

C17H18ClN5O4 (C17 H18 ClN5 O4)

Compound Name

N-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-3-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)propanamide

SMILES

CN(c1c(C(N2C)=O)n(CCC(Nc(cc(cc3)Cl)c3OC)=O)cn1)C2=O

InChI

InChI=1S/C17H18ClN5O4/c1-21-15-14(16(25)22(2)17(21)26)23(9-19-15)7-6-13(24)20-11-8-10(18)4-5-12(11)27-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,24)

InChI Key

HOPLAUJWMGVTMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.268

Distribution Coefficient, logD

1.257

Water Solubility, LogSw

-2.64

Polar Surface Area

73.021

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y031-7073 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-7073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7073?
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What is the minimum amount of Y031-7073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7073
  • 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 Y031-7073 available by request