D012-0402 Screening compound: 1-(2,6-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

D012-0402 Screening compound: 1-(2,6-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
D012-0402 Screening compound: 1-(2,6-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0402
1-(2,6-dimethylphenyl)-3-[2-(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

D012-0402

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

1-(2,6-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

IUPAC name

1-(26-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

SMILES

Cc1cccc(C)c1NC(NCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C19H21N3O/c1-13-6-5-7-14(2)18(13)22-19(23)20-11-10-15-12-21-17-9-4-3-8-16(15)17/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22,23)

InChI Key

MKNKQPVLXJMORF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.61

Polar Surface Area

42.180

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D012-0402 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D012-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0402?
Check Price and Availability of D012-0402, 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 D012-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0402
  • 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 D012-0402 available by request