L439-0164 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(2H-1,3-benzodioxol-5-yl)urea

L439-0164 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(2H-1,3-benzodioxol-5-yl)urea
L439-0164 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(2H-1,3-benzodioxol-5-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L439-0164
3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(2H-1,3-benzodioxol-5-yl)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

L439-0164

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(2H-1,3-benzodioxol-5-yl)urea

IUPAC name

3-(1-benzoyl-23-dihydro-1H-indol-6-yl)-1-(2H-13-benzodioxol-5-yl)urea

SMILES

O=C(c1ccccc1)N(CC1)c2c1ccc(NC(Nc(cc1)cc3c1OCO3)=O)c2

InChI

InChI=1S/C23H19N3O4/c27-22(16-4-2-1-3-5-16)26-11-10-15-6-7-17(12-19(15)26)24-23(28)25-18-8-9-20-21(13-18)30-14-29-20/h1-9,12-13H,10-11,14H2,(H2,24,25,28)

InChI Key

OCJJXZRCLOAQKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.33

Polar Surface Area

65.336

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L439-0164 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L439-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L439-0164?
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What is the minimum amount of L439-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L439-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L439-0164
  • 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 L439-0164 available by request