E983-1804 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea

E983-1804 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea
E983-1804 Screening compound: 3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1804
3-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]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

E983-1804

Molecular Formula

C21H20F3N3O (C21 H20 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc2c(C(F)(F)F)cccc2)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C21H20F3N3O/c1-14-12-16(15(2)27(14)17-8-4-3-5-9-17)13-25-20(28)26-19-11-7-6-10-18(19)21(22,23)24/h3-12H,13H2,1-2H3,(H2,25,26,28)

InChI Key

NUAHCINQUYXOPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.38

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E983-1804 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E983-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1804?
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What is the minimum amount of E983-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1804
  • 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 E983-1804 available by request