L386-0621 Screening compound: N~1~-(3,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

L386-0621 Screening compound: N~1~-(3,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
L386-0621 Screening compound: N~1~-(3,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-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 L386-0621
N~1~-(3,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-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

L386-0621

Molecular Formula

C22H15F2N5O3S (C22 H15 F2 N5 O3 S)

Compound Name

N~1~-(3,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(34-difluorophenyl)-2-[10-(4-methoxyphenyl)-5-oxo-12-thia-3468-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]acetamide

SMILES

COc(cc1)ccc1-c1csc(C2=NN3CC(Nc(cc4)cc(F)c4F)=O)c1N=CN2C3=O

InChI

InChI=1S/C22H15F2N5O3S/c1-32-14-5-2-12(3-6-14)15-10-33-20-19(15)25-11-28-21(20)27-29(22(28)31)9-18(30)26-13-4-7-16(23)17(24)8-13/h2-8,10-11H,9H2,1H3,(H,26,30)

InChI Key

YUPJOXJUXAHVHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.48

Polar Surface Area

70.875

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L386-0621 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L386-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0621?
Check Price and Availability of L386-0621, 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 L386-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0621
  • 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 L386-0621 available by request