Y043-0952 Screening compound: 4-[(2-chloro-9H-purin-6-yl)amino]butanoic acid

Y043-0952 Screening compound: 4-[(2-chloro-9H-purin-6-yl)amino]butanoic acid
Y043-0952 Screening compound: 4-[(2-chloro-9H-purin-6-yl)amino]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0952
4-[(2-chloro-9H-purin-6-yl)amino]butanoic 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

Y043-0952

Molecular Formula

C9H10ClN5O2 (C9 H10 ClN5 O2)

Compound Name

4-[(2-chloro-9H-purin-6-yl)amino]butanoic acid

IUPAC name

4-[(2-chloro-9H-purin-6-yl)amino]butanoic acid

SMILES

OC(CCCNc1c2nc[nH]c2nc(Cl)n1)=O

InChI

InChI=1S/C9H10ClN5O2/c10-9-14-7(11-3-1-2-5(16)17)6-8(15-9)13-4-12-6/h4H,1-3H2,(H,16,17)(H2,11,12,13,14,15)

InChI Key

PYKXZRVCHJACCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08746089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.324

Distribution Coefficient, logD

-2.497

Water Solubility, LogSw

-2.23

Polar Surface Area

80.541

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y043-0952 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 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 Y043-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0952?
Check Price and Availability of Y043-0952, 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 Y043-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0952
  • 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 Y043-0952 available by request