K788-1213 Screening compound: 1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea

K788-1213 Screening compound: 1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea
K788-1213 Screening compound: 1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1213
1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-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

K788-1213

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea

IUPAC name

1-(4-ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea

SMILES

CCc(cc1)ccc1NC(NCC(CC1)CN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C21H27N3O2/c1-3-16-4-6-18(7-5-16)23-21(25)22-14-17-12-13-24(15-17)19-8-10-20(26-2)11-9-19/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)/t17-/m1/s1

InChI Key

OLOXOMCLTRIFEC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03834345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.23

Polar Surface Area

45.159

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

11.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K788-1213 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K788-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1213?
Check Price and Availability of K788-1213, 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 K788-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1213
  • 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 K788-1213 available by request