E983-1331 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethylphenyl)urea

E983-1331 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethylphenyl)urea
E983-1331 Screening compound: 3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1331
3-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(2,4-dimethylphenyl)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

E983-1331

Molecular Formula

C22H24ClN3O (C22 H24 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc2c(C)cc(C)cc2)=O)c(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H24ClN3O/c1-14-5-10-21(15(2)11-14)25-22(27)24-13-18-12-16(3)26(17(18)4)20-8-6-19(23)7-9-20/h5-12H,13H2,1-4H3,(H2,24,25,27)

InChI Key

AASCABDISVXBLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.9

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

5.008

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-5.02

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E983-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1331?
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What is the minimum amount of E983-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1331
  • 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 E983-1331 available by request