F541-0645 Screening compound: 1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-methyl-1,2-dihydroquinoxalin-2-one

F541-0645 Screening compound: 1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-methyl-1,2-dihydroquinoxalin-2-one
F541-0645 Screening compound: 1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-methyl-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0645
1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-methyl-1,2-dihydroquinoxalin-2-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

F541-0645

Molecular Formula

C23H21FN4O2 (C23 H21 FN4 O2)

Compound Name

1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-3-methyl-1,2-dihydroquinoxalin-2-one

IUPAC name

1-cyclopentyl-6-{5-[(4-fluorophenyl)methyl]-124-oxadiazol-3-yl}-3-methyl-12-dihydroquinoxalin-2-one

SMILES

CC1=Nc(cc(cc2)-c3noc(Cc(cc4)ccc4F)n3)c2N(C2CCCC2)C1=O

InChI

InChI=1S/C23H21FN4O2/c1-14-23(29)28(18-4-2-3-5-18)20-11-8-16(13-19(20)25-14)22-26-21(30-27-22)12-15-6-9-17(24)10-7-15/h6-11,13,18H,2-5,12H2,1H3

InChI Key

XZLDXOGGBREFIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.49

Polar Surface Area

53.282

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F541-0645 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F541-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0645?
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What is the minimum amount of F541-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0645
  • 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 F541-0645 available by request