L386-0496 Screening compound: N~1~-(4-acetylphenyl)-2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

L386-0496 Screening compound: N~1~-(4-acetylphenyl)-2-[7-(4-fluorophenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
L386-0496 Screening compound: N~1~-(4-acetylphenyl)-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 L386-0496
N~1~-(4-acetylphenyl)-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

L386-0496

Molecular Formula

C23H16FN5O3S (C23 H16 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CN1N=C(c(scc2-c(cc3)ccc3F)c2N=C2)N2C1=O)=O)=O

InChI

InChI=1S/C23H16FN5O3S/c1-13(30)14-4-8-17(9-5-14)26-19(31)10-29-23(32)28-12-25-20-18(11-33-21(20)22(28)27-29)15-2-6-16(24)7-3-15/h2-9,11-12H,10H2,1H3,(H,26,31)

InChI Key

UGSYELLRWGWXAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.80

Polar Surface Area

77.158

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L386-0496 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L386-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L386-0496?
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What is the minimum amount of L386-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L386-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L386-0496
  • 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 L386-0496 available by request