L386-0021 Screening compound: ethyl 2-({2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

L386-0021 Screening compound: ethyl 2-({2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
L386-0021 Screening compound: ethyl 2-({2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L386-0021
ethyl 2-({2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

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

L386-0021

Molecular Formula

C18H15N5O4S (C18 H15 N5 O4 S)

Compound Name

ethyl 2-({2-[3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 2-(2-{5-oxo-12-thia-3468-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN1N=C(c(scc2)c2N=C2)N2C1=O)=O)=O

InChI

InChI=1S/C18H15N5O4S/c1-2-27-17(25)11-5-3-4-6-12(11)20-14(24)9-23-18(26)22-10-19-13-7-8-28-15(13)16(22)21-23/h3-8,10H,2,9H2,1H3,(H,20,24)

InChI Key

BNFNXCJZOSZLFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-2.97

Polar Surface Area

85.911

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L386-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0021?
Check Price and Availability of L386-0021, 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 L386-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0021
  • 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 L386-0021 available by request