E983-1595 Screening compound: 3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[(3-methoxyphenyl)methyl]urea

E983-1595 Screening compound: 3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[(3-methoxyphenyl)methyl]urea
E983-1595 Screening compound: 3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[(3-methoxyphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1595
3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-1-[(3-methoxyphenyl)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

E983-1595

Molecular Formula

C22H24FN3O2 (C22 H24 FN3 O2)

Compound Name

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

IUPAC name

3-{[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}-1-[(3-methoxyphenyl)methyl]urea

SMILES

Cc1cc(CNC(NCc2cc(OC)ccc2)=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C22H24FN3O2/c1-15-11-18(16(2)26(15)20-9-7-19(23)8-10-20)14-25-22(27)24-13-17-5-4-6-21(12-17)28-3/h4-12H,13-14H2,1-3H3,(H2,24,25,27)

InChI Key

BSLPLQKICVWWRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.54

Polar Surface Area

45.394

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E983-1595 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E983-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1595?
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What is the minimum amount of E983-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1595
  • 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 E983-1595 available by request