Y043-5661 Screening compound: 2-(2-chloro-6-piperidino-9H-purin-9-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

Y043-5661 Screening compound: 2-(2-chloro-6-piperidino-9H-purin-9-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide
Y043-5661 Screening compound: 2-(2-chloro-6-piperidino-9H-purin-9-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5661
2-(2-chloro-6-piperidino-9H-purin-9-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

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

Y043-5661

Molecular Formula

C21H25ClN6O4 (C21 H25 ClN6 O4)

Compound Name

2-(2-chloro-6-piperidino-9H-purin-9-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-[2-chloro-6-(piperidin-1-yl)-9H-purin-9-yl]-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(Cn2c3nc(Cl)nc(N4CCCCC4)c3nc2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H25ClN6O4/c1-30-14-9-13(10-15(31-2)18(14)32-3)24-16(29)11-28-12-23-17-19(25-21(22)26-20(17)28)27-7-5-4-6-8-27/h9-10,12H,4-8,11H2,1-3H3,(H,24,29)

InChI Key

DQANDERTEXOXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30835307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.61

Polar Surface Area

79.870

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

Y043-5661 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y043-5661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5661?
Check Price and Availability of Y043-5661, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-5661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5661
  • 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 Y043-5661 available by request