L399-0029 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

L399-0029 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea
L399-0029 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L399-0029
3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

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

L399-0029

Molecular Formula

C22H16ClFN4O2S (C22 H16 ClFN4 O2 S)

Compound Name

3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

IUPAC name

3-(3-chloro-4-fluorophenyl)-1-(4-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

SMILES

O=C(Nc(cc1)ccc1SCc1nnc(-c2ccccc2)o1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C22H16ClFN4O2S/c23-18-12-16(8-11-19(18)24)26-22(29)25-15-6-9-17(10-7-15)31-13-20-27-28-21(30-20)14-4-2-1-3-5-14/h1-12H,13H2,(H2,25,26,29)

InChI Key

JAVRWKNBZUSUCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.908

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-6.10

Polar Surface Area

62.451

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L399-0029 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with L399-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L399-0029?
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What is the minimum amount of L399-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L399-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L399-0029
  • 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 L399-0029 available by request