E983-1721 Screening compound: 3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(3-methylphenyl)urea

E983-1721 Screening compound: 3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(3-methylphenyl)urea
E983-1721 Screening compound: 3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1721
3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-(3-methylphenyl)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

E983-1721

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc2cc(C)ccc2)=O)c(C)n1-c1cccc(Cl)c1

InChI

InChI=1S/C21H22ClN3O/c1-14-6-4-8-19(10-14)24-21(26)23-13-17-11-15(2)25(16(17)3)20-9-5-7-18(22)12-20/h4-12H,13H2,1-3H3,(H2,23,24,26)

InChI Key

WDEZITNAJQUZHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.88

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

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.82

Polar Surface Area

36.528

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with E983-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1721?
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What is the minimum amount of E983-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1721
  • 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 E983-1721 available by request