C448-1131 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]piperidine-1-carboxylate

C448-1131 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]piperidine-1-carboxylate
C448-1131 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1131
ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]piperidine-1-carboxylate

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

C448-1131

Molecular Formula

C27H29N5O5 (C27 H29 N5 O5)

Compound Name

ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[3-(4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)ccc1OC)C2=O)=O)=O

InChI

InChI=1S/C27H29N5O5/c1-4-37-27(35)31-15-13-17(14-16-31)28-25(33)23-22-20-7-5-6-8-21(20)30(2)24(22)26(34)32(29-23)18-9-11-19(36-3)12-10-18/h5-12,17H,4,13-16H2,1-3H3,(H,28,33)

InChI Key

PSCPETDJYZPFTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.62

Polar Surface Area

82.433

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C448-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1131?
Check Price and Availability of C448-1131, 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 C448-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1131
  • 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 C448-1131 available by request