Y043-0953 Screening compound: 1-(2-chloro-9H-purin-6-yl)-4-piperidinecarboxylic acid

Y043-0953 Screening compound: 1-(2-chloro-9H-purin-6-yl)-4-piperidinecarboxylic acid
Y043-0953 Screening compound: 1-(2-chloro-9H-purin-6-yl)-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0953
1-(2-chloro-9H-purin-6-yl)-4-piperidinecarboxylic acid

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

Y043-0953

Molecular Formula

C11H12ClN5O2 (C11 H12 ClN5 O2)

Compound Name

1-(2-chloro-9H-purin-6-yl)-4-piperidinecarboxylic acid

IUPAC name

1-(2-chloro-9H-purin-6-yl)piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1c1c2nc[nH]c2nc(Cl)n1)=O

InChI

InChI=1S/C11H12ClN5O2/c12-11-15-8-7(13-5-14-8)9(16-11)17-3-1-6(2-4-17)10(18)19/h5-6H,1-4H2,(H,18,19)(H,13,14,15,16)

InChI Key

UNANAGYRIFIIJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08743935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.640

Distribution Coefficient, logD

-1.913

Water Solubility, LogSw

-2.23

Polar Surface Area

72.964

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

Y043-0953 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

NOTUM (Wnt signaling) Library (3881 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

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

References: we are preparing a list of scientific research reports with Y043-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0953?
Check Price and Availability of Y043-0953, 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 Y043-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0953
  • 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 Y043-0953 available by request