3325-0004 Screening compound: 2-[(5

3325-0004 Screening compound: 2-[(5
3325-0004 Screening compound: 2-[(5 alternative view

Chemical Structure Depiction of ChemDiv screening compound 3325-0004
2-[(5

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

3325-0004

Molecular Formula

C15H15N3O3S2 (C15 H15 N3 O3 S2)

Compound Name

2-[(5

IUPAC name

n/a

SMILES

Cc1c(C)sc(N=C(N2)SCC(NCc3ccco3)=O)c1C2=O

InChI

InChI=1S/C15H15N3O3S2/c1-8-9(2)23-14-12(8)13(20)17-15(18-14)22-7-11(19)16-6-10-4-3-5-21-10/h3-5H,6-7H2,1-2H3,(H,16,19)(H,17,18,20)

InChI Key

RCUQXNIZNQXWHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.83

Polar Surface Area

66.624

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3325-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3325-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3325-0004?
Check Price and Availability of 3325-0004, 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 3325-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3325-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3325-0004
  • 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 3325-0004 available by request