C884-2577 Screening compound: 1-(4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanoyl)piperidine-4-carboxamide

C884-2577 Screening compound: 1-(4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanoyl)piperidine-4-carboxamide
C884-2577 Screening compound: 1-(4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2577
1-(4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanoyl)piperidine-4-carboxamide

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

C884-2577

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

1-(4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanoyl)piperidine-4-carboxamide

IUPAC name

1-(4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanoyl)piperidine-4-carboxamide

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N(CC1)CCC1C(N)=O)=O)c1c2cccc1

InChI

InChI=1S/C21H25N5O3/c1-24-21(29)19-16(13-23-24)15-5-2-3-6-17(15)26(19)10-4-7-18(27)25-11-8-14(9-12-25)20(22)28/h2-3,5-6,13-14H,4,7-12H2,1H3,(H2,22,28)

InChI Key

HNZSBTOGBNCRJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.135

Distribution Coefficient, logD

0.134

Water Solubility, LogSw

-1.49

Polar Surface Area

79.452

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C884-2577 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C884-2577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2577?
Check Price and Availability of C884-2577, 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 C884-2577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2577
  • 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 C884-2577 available by request