C507-0172 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C507-0172 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C507-0172 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0172
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

C507-0172

Molecular Formula

C31H30ClN5O3 (C31 H30 ClN5 O3)

Compound Name

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(CN(CC1)C(C(c2c3n(C)c4c2cccc4)=NN(c(cc2)cc(Cl)c2OC)C3=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C31H30ClN5O3/c1-19-8-7-9-21(16-19)36-15-14-35(18-20(36)2)30(38)28-27-23-10-5-6-11-25(23)34(3)29(27)31(39)37(33-28)22-12-13-26(40-4)24(32)17-22/h5-13,16-17,20H,14-15,18H2,1-4H3/t20-/m0/s1

InChI Key

LEQGJDQFYGZVIH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14762577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-6.05

Polar Surface Area

54.728

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

C507-0172 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C507-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0172?
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What is the minimum amount of C507-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0172
  • 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 C507-0172 available by request