7591-0762 Screening compound: 5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-one

7591-0762 Screening compound: 5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-one
7591-0762 Screening compound: 5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0762
5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-one

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

7591-0762

Molecular Formula

C16H13F3N4O (C16 H13 F3 N4 O)

Compound Name

5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-one

IUPAC name

5-[(3-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-45-dihydro-1H-imidazol-4-one

SMILES

Cc1cccnc1NC1(C(F)(F)F)NC(c2ccccc2)=NC1=O

InChI

InChI=1S/C16H13F3N4O/c1-10-6-5-9-20-12(10)22-15(16(17,18)19)14(24)21-13(23-15)11-7-3-2-4-8-11/h2-9H,1H3,(H,20,22)(H,21,23,24)/t15-/m1/s1

InChI Key

XWWMQNAARGEOAT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04181457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

0.851

Water Solubility, LogSw

-3.17

Polar Surface Area

55.717

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

7591-0762 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7591-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0762?
Check Price and Availability of 7591-0762, 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 7591-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0762
  • 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 7591-0762 available by request