D012-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

D012-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
D012-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0364
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-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

D012-0364

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

IUPAC name

1-(35-dimethylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

SMILES

Cc1cc(NC(NCCc2c[nH]c(cc3)c2cc3OC)=O)cc(C)c1

InChI

InChI=1S/C20H23N3O2/c1-13-8-14(2)10-16(9-13)23-20(24)21-7-6-15-12-22-19-5-4-17(25-3)11-18(15)19/h4-5,8-12,22H,6-7H2,1-3H3,(H2,21,23,24)

InChI Key

UNHQYILZFIUVJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.31

Polar Surface Area

51.120

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D012-0364 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D012-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0364?
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What is the minimum amount of D012-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0364
  • 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 D012-0364 available by request