L386-0018 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

L386-0018 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
L386-0018 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L386-0018
N~1~-(1,3-benzodioxol-5-yl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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

L386-0018

Molecular Formula

C16H11N5O4S (C16 H11 N5 O4 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{5-oxo-12-thia-3468-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl}acetamide

SMILES

O=C(CN1N=C(c(scc2)c2N=C2)N2C1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H11N5O4S/c22-13(18-9-1-2-11-12(5-9)25-8-24-11)6-21-16(23)20-7-17-10-3-4-26-14(10)15(20)19-21/h1-5,7H,6,8H2,(H,18,22)

InChI Key

IUUSIEOIGRCPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.89

Polar Surface Area

82.971

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L386-0018 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L386-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0018?
Check Price and Availability of L386-0018, 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 L386-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0018
  • 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 L386-0018 available by request