D585-0582 Screening compound: N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide

D585-0582 Screening compound: N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide
D585-0582 Screening compound: N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0582
N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide

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

D585-0582

Molecular Formula

C17H19N5O4S (C17 H19 N5 O4 S)

Compound Name

N-(3,4-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide

IUPAC name

N-(34-dimethoxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanamide

SMILES

CCC(C(Nc(cc1)cc(OC)c1OC)=O)Sc1nc(O)c2nc[nH]c2n1

InChI

InChI=1S/C17H19N5O4S/c1-4-12(27-17-21-14-13(16(24)22-17)18-8-19-14)15(23)20-9-5-6-10(25-2)11(7-9)26-3/h5-8,12H,4H2,1-3H3,(H,20,23)(H2,18,19,21,22,24)/t12-/m0/s1

InChI Key

BMPNIQFWTVKDEY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27594385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.44

Polar Surface Area

95.470

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D585-0582 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D585-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0582?
Check Price and Availability of D585-0582, 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 D585-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0582
  • 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 D585-0582 available by request