E002-1612 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

E002-1612 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
E002-1612 Screening compound: 3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1612
3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-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

E002-1612

Molecular Formula

C27H26ClFN4O2 (C27 H26 ClFN4 O2)

Compound Name

3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

IUPAC name

3-(3-chloro-4-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

SMILES

CCc1ccc(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C(Nc(cc2)cc(Cl)c2F)=O)cc1

InChI

InChI=1S/C27H26ClFN4O2/c1-3-18-4-6-19(7-5-18)16-33(27(34)31-22-10-13-25(29)24(28)14-22)17-21-15-30-32-26(21)20-8-11-23(35-2)12-9-20/h4-15H,3,16-17H2,1-2H3,(H,30,32)(H,31,34)

InChI Key

YPSJETDNFOCECZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.379

Distribution Coefficient, logD

6.379

Water Solubility, LogSw

-6.36

Polar Surface Area

56.732

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E002-1612 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 E002-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1612?
Check Price and Availability of E002-1612, 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 E002-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1612
  • 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 E002-1612 available by request