5762-1649 Screening compound: (5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione

5762-1649 Screening compound: (5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione
5762-1649 Screening compound: (5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5762-1649
(5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione

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

5762-1649

Molecular Formula

C22H18FN3O2 (C22 H18 FN3 O2)

Compound Name

(5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5E)-3-[(2-fluorophenyl)methyl]-5-{[1-(3-methylphenyl)-1H-pyrrol-2-yl]methylidene}imidazolidine-24-dione

SMILES

Cc1cccc(-n2c(/C=C(\C(N3Cc(cccc4)c4F)=O)/NC3=O)ccc2)c1

InChI

InChI=1S/C22H18FN3O2/c1-15-6-4-8-17(12-15)25-11-5-9-18(25)13-20-21(27)26(22(28)24-20)14-16-7-2-3-10-19(16)23/h2-13H,14H2,1H3,(H,24,28)

InChI Key

NUTFAVSZKXVEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.55

Polar Surface Area

43.200

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5762-1649 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5762-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5762-1649?
Check Price and Availability of 5762-1649, 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 5762-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5762-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5762-1649
  • 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 5762-1649 available by request