F120-0594 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

F120-0594 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea
F120-0594 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F120-0594
1-(2H-1,3-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}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

F120-0594

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{2-[2-(2-phenylethyl)-1H-13-benzodiazol-1-yl]ethyl}urea

SMILES

O=C(NCCn1c(cccc2)c2nc1CCc1ccccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H24N4O3/c30-25(27-19-11-12-22-23(16-19)32-17-31-22)26-14-15-29-21-9-5-4-8-20(21)28-24(29)13-10-18-6-2-1-3-7-18/h1-9,11-12,16H,10,13-15,17H2,(H2,26,27,30)

InChI Key

JFWFRDCFPDHBFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.41

Polar Surface Area

61.704

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F120-0594 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F120-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F120-0594?
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What is the minimum amount of F120-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F120-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F120-0594
  • 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 F120-0594 available by request