C651-0331F Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate

C651-0331F Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
C651-0331F Screening compound: ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0331F
ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate

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

C651-0331F

Molecular Formula

C17H20FN3O4 (C17 H20 FN3 O4)

Compound Name

ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(4-fluorophenyl)-45-dihydro-12-oxazole-5-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1)ON=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C17H20FN3O4/c1-2-24-17(23)21-9-7-20(8-10-21)16(22)15-11-14(19-25-15)12-3-5-13(18)6-4-12/h3-6,15H,2,7-11H2,1H3/t15-/m1/s1

InChI Key

NCNSSDSKVSYSAV-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-2.52

Polar Surface Area

62.260

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with C651-0331F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0331F?
Check Price and Availability of C651-0331F, 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 C651-0331F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0331F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0331F
  • 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 C651-0331F available by request