C795-0251 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(4-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C795-0251 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(4-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C795-0251 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(4-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0251
N-(5-chloro-2-methylphenyl)-2-{5-[(4-methylphenyl)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

C795-0251

Molecular Formula

C27H23ClN4O2 (C27 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(N(CC(Nc3c(C)ccc(Cl)c3)=O)N=C3)=O)c3c3c2cccc3)cc1

InChI

InChI=1S/C27H23ClN4O2/c1-17-7-10-19(11-8-17)15-31-24-6-4-3-5-21(24)22-14-29-32(27(34)26(22)31)16-25(33)30-23-13-20(28)12-9-18(23)2/h3-14H,15-16H2,1-2H3,(H,30,33)

InChI Key

WAHOEQBOLCHJRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.48

Polar Surface Area

51.523

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C795-0251 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C795-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0251?
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What is the minimum amount of C795-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0251
  • 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 C795-0251 available by request