3339-1646 Screening compound: 4-(2

3339-1646 Screening compound: 4-(2
3339-1646 Screening compound: 4-(2 alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1646
4-(2

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

3339-1646

Molecular Formula

C20H14N4O3S2 (C20 H14 N4 O3 S2)

Compound Name

4-(2

IUPAC name

n/a

SMILES

Cc1nc2c3sc(NC(c(cc4)ccc4N(C(CC4)=O)C4=O)=O)nc3ccc2s1

InChI

InChI=1S/C20H14N4O3S2/c1-10-21-17-14(28-10)7-6-13-18(17)29-20(22-13)23-19(27)11-2-4-12(5-3-11)24-15(25)8-9-16(24)26/h2-7H,8-9H2,1H3,(H,22,23,27)

InChI Key

YTAHCGUSMXASRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04416125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.84

Polar Surface Area

72.857

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3339-1646 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3339-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1646?
Check Price and Availability of 3339-1646, 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 3339-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1646
  • 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 3339-1646 available by request