6485-1503 Screening compound: 1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-one

6485-1503 Screening compound: 1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-one
6485-1503 Screening compound: 1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6485-1503
1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-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

6485-1503

Molecular Formula

C19H21FN2O3 (C19 H21 FN2 O3)

Compound Name

1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-one

IUPAC name

1-{3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}butan-1-one

SMILES

CCCC(c(cc1)cc(F)c1N(CC1)CCN1C(c1ccco1)=O)=O

InChI

InChI=1S/C19H21FN2O3/c1-2-4-17(23)14-6-7-16(15(20)13-14)21-8-10-22(11-9-21)19(24)18-5-3-12-25-18/h3,5-7,12-13H,2,4,8-11H2,1H3

InChI Key

XVUYENGGTBNCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.70

Polar Surface Area

41.671

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

6485-1503 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6485-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6485-1503?
Check Price and Availability of 6485-1503, 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 6485-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6485-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6485-1503
  • 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 6485-1503 available by request