L850-1453 Screening compound: N-(2,5-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

L850-1453 Screening compound: N-(2,5-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
L850-1453 Screening compound: N-(2,5-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L850-1453
N-(2,5-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)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

L850-1453

Molecular Formula

C19H13F3N6O2S (C19 H13 F3 N6 O2 S)

Compound Name

N-(2,5-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(25-difluorophenyl)-2-({5-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-4-methyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(SCC(Nc(cc(cc2)F)c2F)=O)nnc1-c1nc(-c(cc2)ccc2F)no1

InChI

InChI=1S/C19H13F3N6O2S/c1-28-17(18-24-16(27-30-18)10-2-4-11(20)5-3-10)25-26-19(28)31-9-15(29)23-14-8-12(21)6-7-13(14)22/h2-8H,9H2,1H3,(H,23,29)

InChI Key

MDQLCEDLUOKEQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.00

Polar Surface Area

79.180

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

L850-1453 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 L850-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L850-1453?
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What is the minimum amount of L850-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L850-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L850-1453
  • 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 L850-1453 available by request