C799-0617 Screening compound: 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]urea

C799-0617 Screening compound: 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]urea
C799-0617 Screening compound: 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0617
3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-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

C799-0617

Molecular Formula

C27H32ClN3O (C27 H32 ClN3 O)

Compound Name

3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]urea

IUPAC name

3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]urea

SMILES

Cc1cc(CN(C2CCCCC2)C(Nc2cccc(Cl)c2C)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C27H32ClN3O/c1-19-17-22(21(3)31(19)24-13-8-5-9-14-24)18-30(23-11-6-4-7-12-23)27(32)29-26-16-10-15-25(28)20(26)2/h5,8-10,13-17,23H,4,6-7,11-12,18H2,1-3H3,(H,29,32)

InChI Key

ZBSAKSJSNUTYGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.02

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.061

Distribution Coefficient, logD

7.061

Water Solubility, LogSw

-6.27

Polar Surface Area

26.210

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C799-0617 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C799-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0617?
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What is the minimum amount of C799-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0617
  • 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 C799-0617 available by request