L604-0772 Screening compound: 3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)urea

L604-0772 Screening compound: 3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)urea
L604-0772 Screening compound: 3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L604-0772
3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)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

L604-0772

Molecular Formula

C24H20N4O4 (C24 H20 N4 O4)

Compound Name

3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)urea

IUPAC name

3-(3-{5-[(2H-13-benzodioxol-5-yl)methyl]-134-oxadiazol-2-yl}phenyl)-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(Nc1cc(-c2nnc(Cc(cc3)cc4c3OCO4)o2)ccc1)=O

InChI

InChI=1S/C24H20N4O4/c1-15-5-8-18(9-6-15)25-24(29)26-19-4-2-3-17(13-19)23-28-27-22(32-23)12-16-7-10-20-21(11-16)31-14-30-20/h2-11,13H,12,14H2,1H3,(H2,25,26,29)

InChI Key

RWWKONVULGLDQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.44

Polar Surface Area

79.567

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L604-0772 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 L604-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L604-0772?
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What is the minimum amount of L604-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L604-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L604-0772
  • 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 L604-0772 available by request