E983-0157 Screening compound: 1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-(2,5-dimethylphenyl)urea

E983-0157 Screening compound: 1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-(2,5-dimethylphenyl)urea
E983-0157 Screening compound: 1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-(2,5-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-0157
1-cyclohexyl-1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-(2,5-dimethylphenyl)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

E983-0157

Molecular Formula

C28H35N3O (C28 H35 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CN(C2CCCCC2)C(Nc2c(C)ccc(C)c2)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C28H35N3O/c1-20-15-16-21(2)27(17-20)29-28(32)30(25-11-7-5-8-12-25)19-24-18-22(3)31(23(24)4)26-13-9-6-10-14-26/h6,9-10,13-18,25H,5,7-8,11-12,19H2,1-4H3,(H,29,32)

InChI Key

ANAIZLKTHHICBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.61

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

6.295

Distribution Coefficient, logD

6.295

Water Solubility, LogSw

-5.30

Polar Surface Area

26.210

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

E983-0157 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 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

References: we are preparing a list of scientific research reports with E983-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-0157?
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What is the minimum amount of E983-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-0157
  • 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 E983-0157 available by request