C884-2776 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2776 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2776 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2776
N-[2-(3,4-diethoxyphenyl)ethyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2776

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCOc(ccc(CCNC(CCCn1c(C(N(C)N=C2)=O)c2c2c1cccc2)=O)c1)c1OCC

InChI

InChI=1S/C27H32N4O4/c1-4-34-23-13-12-19(17-24(23)35-5-2)14-15-28-25(32)11-8-16-31-22-10-7-6-9-20(22)21-18-29-30(3)27(33)26(21)31/h6-7,9-10,12-13,17-18H,4-5,8,11,14-16H2,1-3H3,(H,28,32)

InChI Key

KHHQAOWDPVJEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.36

Polar Surface Area

67.734

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C884-2776 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C884-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2776?
Check Price and Availability of C884-2776, 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 C884-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2776
  • 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 C884-2776 available by request