E983-0421 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

E983-0421 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
E983-0421 Screening compound: 1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-0421
1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)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

E983-0421

Molecular Formula

C30H36ClN3O (C30 H36 ClN3 O)

Compound Name

1-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

IUPAC name

1-{[1-(4-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}-1-cyclohexyl-3-(5678-tetrahydronaphthalen-1-yl)urea

SMILES

Cc1cc(CN(C2CCCCC2)C(Nc2c(CCCC3)c3ccc2)=O)c(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C30H36ClN3O/c1-21-19-24(22(2)34(21)27-17-15-25(31)16-18-27)20-33(26-11-4-3-5-12-26)30(35)32-29-14-8-10-23-9-6-7-13-28(23)29/h8,10,14-19,26H,3-7,9,11-13,20H2,1-2H3,(H,32,35)

InChI Key

GSXWHOHXOKKIPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.09

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

8.006

Distribution Coefficient, logD

8.006

Water Solubility, LogSw

-6.34

Polar Surface Area

26.131

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

E983-0421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 E983-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-0421?
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What is the minimum amount of E983-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-0421
  • 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 E983-0421 available by request