C884-1210 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamido)piperidine-1-carboxylate

C884-1210 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamido)piperidine-1-carboxylate
C884-1210 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1210
ethyl 4-(2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamido)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

C884-1210

Molecular Formula

C22H27N5O4 (C22 H27 N5 O4)

Compound Name

ethyl 4-(2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(2-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamido)piperidine-1-carboxylate

SMILES

CCC(C(NC(CC1)CCN1C(OCC)=O)=O)n1c(C(NN=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H27N5O4/c1-3-17(20(28)24-14-9-11-26(12-10-14)22(30)31-4-2)27-18-8-6-5-7-15(18)16-13-23-25-21(29)19(16)27/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,24,28)(H,25,29)/t17-/m0/s1

InChI Key

ZUZBIXGZNMTXKR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD26966779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.08

Polar Surface Area

86.552

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

C884-1210 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C884-1210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1210?
Check Price and Availability of C884-1210, 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 C884-1210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1210
  • 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 C884-1210 available by request