E983-1737 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea

E983-1737 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
E983-1737 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E983-1737
1-(4-bromo-3-methylphenyl)-3-{[1-(3-chlorophenyl)-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

E983-1737

Molecular Formula

C21H21BrClN3O (C21 H21 BrClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(CNC(Nc(cc2)cc(C)c2Br)=O)c(C)n1-c1cc(Cl)ccc1

InChI

InChI=1S/C21H21BrClN3O/c1-13-9-18(7-8-20(13)22)25-21(27)24-12-16-10-14(2)26(15(16)3)19-6-4-5-17(23)11-19/h4-11H,12H2,1-3H3,(H2,24,25,27)

InChI Key

LGFHUNFUUHFAAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.77

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

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.84

Polar Surface Area

36.528

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E983-1737 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E983-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E983-1737?
Check Price and Availability of E983-1737, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E983-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E983-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E983-1737
  • 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 E983-1737 available by request