G666-0398 Screening compound: 3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea

G666-0398 Screening compound: 3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
G666-0398 Screening compound: 3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G666-0398
3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]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

G666-0398

Molecular Formula

C21H21F3N4O3 (C21 H21 F3 N4 O3)

Compound Name

3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea

SMILES

COCCn1c(NC(Nc2cccc(C(F)(F)F)c2)=O)ncc1-c1cc(OC)ccc1

InChI

InChI=1S/C21H21F3N4O3/c1-30-10-9-28-18(14-5-3-8-17(11-14)31-2)13-25-19(28)27-20(29)26-16-7-4-6-15(12-16)21(22,23)24/h3-8,11-13H,9-10H2,1-2H3,(H2,25,26,27,29)

InChI Key

RHSBIWOEXNLUPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15027476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-5.06

Polar Surface Area

60.528

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G666-0398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with G666-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G666-0398?
Check Price and Availability of G666-0398, 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 G666-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G666-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G666-0398
  • 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 G666-0398 available by request