8019-4101 Screening compound: 3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea

8019-4101 Screening compound: 3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea
8019-4101 Screening compound: 3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4101
3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea

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

8019-4101

Molecular Formula

C17H23ClN2O (C17 H23 ClN2 O)

Compound Name

3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea

IUPAC name

3-{[1-(4-chlorophenyl)cyclopropyl]methyl}-1-cyclohexylurea

SMILES

O=C(NCC1(CC1)c(cc1)ccc1Cl)NC1CCCCC1

InChI

InChI=1S/C17H23ClN2O/c18-14-8-6-13(7-9-14)17(10-11-17)12-19-16(21)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H2,19,20,21)

InChI Key

VVQGGMYKESZYNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.43

Polar Surface Area

35.163

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

8019-4101 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4101?
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What is the minimum amount of 8019-4101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4101
  • 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 8019-4101 available by request