E983-1755 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea

E983-1755 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
E983-1755 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1755
1-(2H-1,3-benzodioxol-5-yl)-3-{[1-(3-chlorophenyl)-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

E983-1755

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

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

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{[1-(3-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}urea

SMILES

Cc1cc(CNC(Nc(cc2)cc3c2OCO3)=O)c(C)n1-c1cccc(Cl)c1

InChI

InChI=1S/C21H20ClN3O3/c1-13-8-15(14(2)25(13)18-5-3-4-16(22)9-18)11-23-21(26)24-17-6-7-19-20(10-17)28-12-27-19/h3-10H,11-12H2,1-2H3,(H2,23,24,26)

InChI Key

STBZFOBZKMXVLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.49

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E983-1755 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E983-1755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1755?
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What is the minimum amount of E983-1755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1755
  • 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 E983-1755 available by request