L604-0817 Screening compound: methyl 3-{[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate

L604-0817 Screening compound: methyl 3-{[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate
L604-0817 Screening compound: methyl 3-{[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L604-0817
methyl 3-{[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate

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

L604-0817

Molecular Formula

C25H20N4O6 (C25 H20 N4 O6)

Compound Name

methyl 3-{[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate

IUPAC name

methyl 3-{[(3-{5-[(2H-13-benzodioxol-5-yl)methyl]-134-oxadiazol-2-yl}phenyl)carbamoyl]amino}benzoate

SMILES

COC(c1cccc(NC(Nc2cc(-c3nnc(Cc(cc4)cc5c4OCO5)o3)ccc2)=O)c1)=O

InChI

InChI=1S/C25H20N4O6/c1-32-24(30)17-5-3-7-19(13-17)27-25(31)26-18-6-2-4-16(12-18)23-29-28-22(35-23)11-15-8-9-20-21(10-15)34-14-33-20/h2-10,12-13H,11,14H2,1H3,(H2,26,27,31)

InChI Key

CCUOBMZDZAIBRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.34

Polar Surface Area

100.741

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L604-0817 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L604-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L604-0817?
Check Price and Availability of L604-0817, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L604-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L604-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L604-0817
  • 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 L604-0817 available by request