D585-0592 Screening compound: ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate

D585-0592 Screening compound: ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate
D585-0592 Screening compound: ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0592
ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate

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

D585-0592

Molecular Formula

C17H23N5O4S (C17 H23 N5 O4 S)

Compound Name

ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoyl}piperidine-4-carboxylate

SMILES

CCC(C(N(CC1)CCC1C(OCC)=O)=O)Sc1nc(O)c2nc[nH]c2n1

InChI

InChI=1S/C17H23N5O4S/c1-3-11(27-17-20-13-12(14(23)21-17)18-9-19-13)15(24)22-7-5-10(6-8-22)16(25)26-4-2/h9-11H,3-8H2,1-2H3,(H2,18,19,20,21,23)/t11-/m0/s1

InChI Key

YAJJYDKVPJGRPR-NSHDSACASA-N

MDL Number (MFCD)

MFCD27594389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-2.14

Polar Surface Area

94.520

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

D585-0592 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D585-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0592?
Check Price and Availability of D585-0592, 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 D585-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0592
  • 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 D585-0592 available by request