8012-2528 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide

8012-2528 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide
8012-2528 Screening compound: N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2528
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide

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

8012-2528

Molecular Formula

C22H20FN3O3 (C22 H20 FN3 O3)

Compound Name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide

IUPAC name

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-14-dioxo-14-dihydronaphthalen-2-yl}acetamide

SMILES

CC(NC(C(c(cccc1)c1C1=O)=O)=C1N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C22H20FN3O3/c1-14(27)24-19-20(22(29)18-5-3-2-4-17(18)21(19)28)26-12-10-25(11-13-26)16-8-6-15(23)7-9-16/h2-9H,10-13H2,1H3,(H,24,27)

InChI Key

CBWCMDQHOHYNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

1.230

Water Solubility, LogSw

-3.20

Polar Surface Area

56.544

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

8012-2528 in Drug Discovery

Included in Screening Libraries

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

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-2528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2528?
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What is the minimum amount of 8012-2528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2528
  • 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 8012-2528 available by request