L386-0478 Screening compound: N~1~-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

L386-0478 Screening compound: N~1~-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
L386-0478 Screening compound: N~1~-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-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 L386-0478
N~1~-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-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

L386-0478

Molecular Formula

C21H13F2N5O2S (C21 H13 F2 N5 O2 S)

Compound Name

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

IUPAC name

N-(2-fluorophenyl)-2-[10-(4-fluorophenyl)-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-c(cc3)ccc3F)c2N=C2)N2C1=O)Nc(cccc1)c1F

InChI

InChI=1S/C21H13F2N5O2S/c22-13-7-5-12(6-8-13)14-10-31-19-18(14)24-11-27-20(19)26-28(21(27)30)9-17(29)25-16-4-2-1-3-15(16)23/h1-8,10-11H,9H2,(H,25,29)

InChI Key

DAGHAGGLVRUMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.17

Polar Surface Area

62.634

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L386-0478 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L386-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0478?
Check Price and Availability of L386-0478, 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 L386-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0478
  • 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 L386-0478 available by request