E983-1808 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

E983-1808 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
E983-1808 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1808
3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(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

E983-1808

Molecular Formula

C24H27N3O (C24 H27 N3 O)

Compound Name

3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

IUPAC name

3-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-(5678-tetrahydronaphthalen-1-yl)urea

SMILES

Cc1cc(CNC(Nc2c(CCCC3)c3ccc2)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C24H27N3O/c1-17-15-20(18(2)27(17)21-11-4-3-5-12-21)16-25-24(28)26-23-14-8-10-19-9-6-7-13-22(19)23/h3-5,8,10-12,14-15H,6-7,9,13,16H2,1-2H3,(H2,25,26,28)

InChI Key

ISJLJGHJNPNUCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.63

Polar Surface Area

35.751

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E983-1808 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E983-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1808?
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What is the minimum amount of E983-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1808
  • 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 E983-1808 available by request