C289-0046 Screening compound: 10,11-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

C289-0046 Screening compound: 10,11-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one
C289-0046 Screening compound: 10,11-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0046
10,11-diethoxy-13-[4-(4-nitrophenyl)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

C289-0046

Molecular Formula

C32H34N4O6 (C32 H34 N4 O6)

Compound Name

10,11-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

IUPAC name

1011-diethoxy-13-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7812b13-tetrahydro-5H-6-azatetraphen-5-one

SMILES

CCOc1cc(CCN(C2C(C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C32H34N4O6/c1-3-41-27-19-21-13-14-35-30(26(21)20-28(27)42-4-2)29(24-7-5-6-8-25(24)31(35)37)32(38)34-17-15-33(16-18-34)22-9-11-23(12-10-22)36(39)40/h5-12,19-20,29-30H,3-4,13-18H2,1-2H3

InChI Key

NLFXDEWIBIYGOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.76

Polar Surface Area

83.657

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

C289-0046 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C289-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0046?
Check Price and Availability of C289-0046, 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 C289-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0046
  • 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 C289-0046 available by request