E983-1339 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethoxyphenyl)urea

E983-1339 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethoxyphenyl)urea
E983-1339 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1339
3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethoxyphenyl)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

E983-1339

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc(ccc(OC)c2)c2OC)=O)c(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H24ClN3O3/c1-14-11-16(15(2)26(14)18-7-5-17(23)6-8-18)13-24-22(27)25-20-10-9-19(28-3)12-21(20)29-4/h5-12H,13H2,1-4H3,(H2,24,25,27)

InChI Key

NIPMATPZDJECAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.61

Polar Surface Area

51.005

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E983-1339 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 E983-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1339?
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What is the minimum amount of E983-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1339
  • 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 E983-1339 available by request