C880-2734 Screening compound: N-(butan-2-yl)-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-2734 Screening compound: N-(butan-2-yl)-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-2734 Screening compound: N-(butan-2-yl)-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2734
N-(butan-2-yl)-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

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

C880-2734

Molecular Formula

C23H23ClN4O2 (C23 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)=O

InChI

InChI=1S/C23H23ClN4O2/c1-3-15(2)26-21(29)14-28-23(30)22-19(12-25-28)18-9-4-5-10-20(18)27(22)13-16-7-6-8-17(24)11-16/h4-12,15H,3,13-14H2,1-2H3,(H,26,29)/t15-/m0/s1

InChI Key

XDPDOVPSTMTSJR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14804307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.20

Polar Surface Area

53.256

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C880-2734 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 C880-2734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2734?
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What is the minimum amount of C880-2734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2734
  • 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 C880-2734 available by request