E983-1284 Screening compound: 3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-1-[(oxolan-2-yl)methyl]urea

E983-1284 Screening compound: 3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-1-[(oxolan-2-yl)methyl]urea
E983-1284 Screening compound: 3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-1-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1284
3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-1-[(oxolan-2-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

E983-1284

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(NCC2OCCC2)=O)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C20H27N3O2/c1-14-6-8-18(9-7-14)23-15(2)11-17(16(23)3)12-21-20(24)22-13-19-5-4-10-25-19/h6-9,11,19H,4-5,10,12-13H2,1-3H3,(H2,21,22,24)/t19-/m1/s1

InChI Key

FNXOFDOSFQQOFH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27095255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

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

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.79

Polar Surface Area

46.505

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

E983-1284 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E983-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1284?
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What is the minimum amount of E983-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1284
  • 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 E983-1284 available by request