L386-0042 Screening compound: N~1~-(3-methoxyphenyl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

L386-0042 Screening compound: N~1~-(3-methoxyphenyl)-2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
L386-0042 Screening compound: N~1~-(3-methoxyphenyl)-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 L386-0042
N~1~-(3-methoxyphenyl)-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

L386-0042

Molecular Formula

C16H13N5O3S (C16 H13 N5 O3 S)

Compound Name

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

IUPAC name

N-(3-methoxyphenyl)-2-{5-oxo-12-thia-3468-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl}acetamide

SMILES

COc1cccc(NC(CN2N=C(c(scc3)c3N=C3)N3C2=O)=O)c1

InChI

InChI=1S/C16H13N5O3S/c1-24-11-4-2-3-10(7-11)18-13(22)8-21-16(23)20-9-17-12-5-6-25-14(12)15(20)19-21/h2-7,9H,8H2,1H3,(H,18,22)

InChI Key

GQABOBHVXNCTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.93

Polar Surface Area

73.399

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L386-0042 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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

References: we are preparing a list of scientific research reports with L386-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0042?
Check Price and Availability of L386-0042, 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 L386-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0042
  • 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 L386-0042 available by request