K788-2046 Screening compound: 1-(4-chlorophenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea

K788-2046 Screening compound: 1-(4-chlorophenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea
K788-2046 Screening compound: 1-(4-chlorophenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2046
1-(4-chlorophenyl)-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

K788-2046

Molecular Formula

C19H22ClN3O2 (C19 H22 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CC(CNC(Nc(cc2)ccc2Cl)=O)CC1

InChI

InChI=1S/C19H22ClN3O2/c1-25-18-8-6-17(7-9-18)23-11-10-14(13-23)12-21-19(24)22-16-4-2-15(20)3-5-16/h2-9,14H,10-13H2,1H3,(H2,21,22,24)/t14-/m1/s1

InChI Key

PVAFMKDKWQMBLH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15103558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.58

Polar Surface Area

45.159

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

11.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

K788-2046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 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
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K788-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2046?
Check Price and Availability of K788-2046, 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 K788-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2046
  • 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 K788-2046 available by request