E983-1537 Screening compound: 1-(2,3-dimethylphenyl)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea

E983-1537 Screening compound: 1-(2,3-dimethylphenyl)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
E983-1537 Screening compound: 1-(2,3-dimethylphenyl)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1537
1-(2,3-dimethylphenyl)-3-{[1-(4-fluorophenyl)-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

E983-1537

Molecular Formula

C22H24FN3O (C22 H24 FN3 O)

Compound Name

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

IUPAC name

1-(23-dimethylphenyl)-3-{[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methyl}urea

SMILES

Cc1cc(CNC(Nc2c(C)c(C)ccc2)=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C22H24FN3O/c1-14-6-5-7-21(16(14)3)25-22(27)24-13-18-12-15(2)26(17(18)4)20-10-8-19(23)9-11-20/h5-12H,13H2,1-4H3,(H2,24,25,27)

InChI Key

UPFUNSNXZYCYDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

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

4.590

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.33

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E983-1537 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E983-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1537?
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What is the minimum amount of E983-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1537
  • 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 E983-1537 available by request