E983-1888 Screening compound: 1-(4-fluorophenyl)-3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea

E983-1888 Screening compound: 1-(4-fluorophenyl)-3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
E983-1888 Screening compound: 1-(4-fluorophenyl)-3-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1888
1-(4-fluorophenyl)-3-{[1-(2-methoxyphenyl)-2,5-dimethyl-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

E983-1888

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-3-{[1-(2-methoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}urea

SMILES

Cc1cc(CNC(Nc(cc2)ccc2F)=O)c(C)n1-c(cccc1)c1OC

InChI

InChI=1S/C21H22FN3O2/c1-14-12-16(13-23-21(26)24-18-10-8-17(22)9-11-18)15(2)25(14)19-6-4-5-7-20(19)27-3/h4-12H,13H2,1-3H3,(H2,23,24,26)

InChI Key

MGDKZFLBZZYJOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.04

Polar Surface Area

43.858

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E983-1888 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E983-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1888?
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What is the minimum amount of E983-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1888
  • 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 E983-1888 available by request