4550-0268 Screening compound: 2-[(4-AMINO-6

4550-0268 Screening compound: 2-[(4-AMINO-6
4550-0268 Screening compound: 2-[(4-AMINO-6 alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-0268
2-[(4-AMINO-6

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

4550-0268

Molecular Formula

C17H23N5O2S2 (C17 H23 N5 O2 S2)

Compound Name

2-[(4-AMINO-6

IUPAC name

n/a

SMILES

Nc1c(c(CCC2)c2s2)c2nc(SCC(NCCN2CCOCC2)=O)n1

InChI

InChI=1S/C17H23N5O2S2/c18-15-14-11-2-1-3-12(11)26-16(14)21-17(20-15)25-10-13(23)19-4-5-22-6-8-24-9-7-22/h1-10H2,(H,19,23)(H2,18,20,21)

InChI Key

VLNPDGSJJUUQCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.425

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-1.73

Polar Surface Area

75.552

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4550-0268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • 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 4550-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-0268?
Check Price and Availability of 4550-0268, 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 4550-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-0268
  • 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 4550-0268 available by request