K786-5693 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)urea

K786-5693 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)urea
K786-5693 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5693
3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)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

K786-5693

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-(4-ethoxyphenyl)urea

SMILES

CCOc(cc1)ccc1NC(N(C1CCCC1)C(CC1)CCN1C(C)=O)=O

InChI

InChI=1S/C21H31N3O3/c1-3-27-20-10-8-17(9-11-20)22-21(26)24(18-6-4-5-7-18)19-12-14-23(15-13-19)16(2)25/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,26)

InChI Key

CZVAIRNTPVZODN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.52

Polar Surface Area

48.281

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K786-5693 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-5693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5693?
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What is the minimum amount of K786-5693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5693
  • 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 K786-5693 available by request