C066-2239 Screening compound: 13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

C066-2239 Screening compound: 13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one
C066-2239 Screening compound: 13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2239
13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-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

C066-2239

Molecular Formula

C30H31N3O2 (C30 H31 N3 O2)

Compound Name

13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

IUPAC name

13-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-7812b13-tetrahydro-5H-6-azatetraphen-5-one

SMILES

Cc1cc(N(CC2)CCN2C(C(C2N3CCc4c2cccc4)c(cccc2)c2C3=O)=O)c(C)cc1

InChI

InChI=1S/C30H31N3O2/c1-20-11-12-21(2)26(19-20)31-15-17-32(18-16-31)30(35)27-24-9-5-6-10-25(24)29(34)33-14-13-22-7-3-4-8-23(22)28(27)33/h3-12,19,27-28H,13-18H2,1-2H3

InChI Key

JUCUKDWEHONZBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-5.05

Polar Surface Area

35.554

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C066-2239 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2239?
Check Price and Availability of C066-2239, 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 C066-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2239
  • 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 C066-2239 available by request