C884-1030 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide

C884-1030 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide
C884-1030 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1030
2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide

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

C884-1030

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

2-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide

SMILES

CC(C(NCc1cccs1)=O)n1c(C(NN=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C18H16N4O2S/c1-11(17(23)19-9-12-5-4-8-25-12)22-15-7-3-2-6-13(15)14-10-20-21-18(24)16(14)22/h2-8,10-11H,9H2,1H3,(H,19,23)(H,21,24)/t11-/m0/s1

InChI Key

IEECQXKLTCJRSX-NSHDSACASA-N

MDL Number (MFCD)

MFCD26966768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.494

Water Solubility, LogSw

-2.70

Polar Surface Area

65.480

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C884-1030 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with C884-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1030?
Check Price and Availability of C884-1030, 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 C884-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1030
  • 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 C884-1030 available by request