K788-0786 Screening compound: 1-(2,4-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]urea

K788-0786 Screening compound: 1-(2,4-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]urea
K788-0786 Screening compound: 1-(2,4-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0786
1-(2,4-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]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

K788-0786

Molecular Formula

C15H19N3O3 (C15 H19 N3 O3)

Compound Name

1-(2,4-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]urea

IUPAC name

1-(24-dimethoxyphenyl)-3-[(1-methyl-1H-pyrrol-2-yl)methyl]urea

SMILES

Cn1c(CNC(Nc(ccc(OC)c2)c2OC)=O)ccc1

InChI

InChI=1S/C15H19N3O3/c1-18-8-4-5-11(18)10-16-15(19)17-13-7-6-12(20-2)9-14(13)21-3/h4-9H,10H2,1-3H3,(H2,16,17,19)

InChI Key

AGHNFWXJQOPISY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-3.00

Polar Surface Area

51.238

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K788-0786 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0786?
Check Price and Availability of K788-0786, 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 K788-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0786
  • 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 K788-0786 available by request