L399-0049 Screening compound: N-(3,5-dimethoxyphenyl)-N'-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

L399-0049 Screening compound: N-(3,5-dimethoxyphenyl)-N'-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea
L399-0049 Screening compound: N-(3,5-dimethoxyphenyl)-N'-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L399-0049
N-(3,5-dimethoxyphenyl)-N'-(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

L399-0049

Molecular Formula

C24H22N4O4S (C24 H22 N4 O4 S)

Compound Name

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

IUPAC name

3-(35-dimethoxyphenyl)-1-(4-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}phenyl)urea

SMILES

COc1cc(NC(Nc(cc2)ccc2SCc2nnc(-c3ccccc3)o2)=O)cc(OC)c1

InChI

InChI=1S/C24H22N4O4S/c1-30-19-12-18(13-20(14-19)31-2)26-24(29)25-17-8-10-21(11-9-17)33-15-22-27-28-23(32-22)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,25,26,29)

InChI Key

NVOJPMTYNGHYHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.34

Polar Surface Area

77.539

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L399-0049 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 L399-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L399-0049?
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What is the minimum amount of L399-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L399-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L399-0049
  • 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 L399-0049 available by request