E983-1280 Screening compound: 1-(2,4-difluorophenyl)-3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}urea

E983-1280 Screening compound: 1-(2,4-difluorophenyl)-3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}urea
E983-1280 Screening compound: 1-(2,4-difluorophenyl)-3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1280
1-(2,4-difluorophenyl)-3-{[2,5-dimethyl-1-(4-methylphenyl)-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

E983-1280

Molecular Formula

C21H21F2N3O (C21 H21 F2 N3 O)

Compound Name

1-(2,4-difluorophenyl)-3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}urea

IUPAC name

1-(24-difluorophenyl)-3-{[25-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}urea

SMILES

Cc1cc(CNC(Nc(ccc(F)c2)c2F)=O)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C21H21F2N3O/c1-13-4-7-18(8-5-13)26-14(2)10-16(15(26)3)12-24-21(27)25-20-9-6-17(22)11-19(20)23/h4-11H,12H2,1-3H3,(H2,24,25,27)

InChI Key

YMCNANYEUULEET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.41

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

4.270

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.24

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E983-1280 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with E983-1280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1280?
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What is the minimum amount of E983-1280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1280
  • 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 E983-1280 available by request