L399-0069 Screening compound: 3-(3-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

L399-0069 Screening compound: 3-(3-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea
L399-0069 Screening compound: 3-(3-fluorophenyl)-1-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L399-0069
3-(3-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

L399-0069

Molecular Formula

C22H17FN4O2S (C22 H17 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc(cc1)ccc1SCc1nnc(-c2ccccc2)o1)Nc1cc(F)ccc1

InChI

InChI=1S/C22H17FN4O2S/c23-16-7-4-8-18(13-16)25-22(28)24-17-9-11-19(12-10-17)30-14-20-26-27-21(29-20)15-5-2-1-3-6-15/h1-13H,14H2,(H2,24,25,28)

InChI Key

BOHCSGHDZNUSRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

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

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.62

Polar Surface Area

62.451

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L399-0069 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L399-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L399-0069?
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What is the minimum amount of L399-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L399-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L399-0069
  • 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 L399-0069 available by request