8012-2512 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide

8012-2512 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide
8012-2512 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2512
N-{3-[4-(4-methoxyphenyl)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

8012-2512

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(C(c(cccc1)c1C1=O)=O)=C1N(CC1)CCN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H23N3O4/c1-15(27)24-20-21(23(29)19-6-4-3-5-18(19)22(20)28)26-13-11-25(12-14-26)16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,24,27)

InChI Key

ODONGHMKHSCRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

1.183

Water Solubility, LogSw

-3.13

Polar Surface Area

64.088

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8012-2512 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2512?
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What is the minimum amount of 8012-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2512
  • 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 8012-2512 available by request