C507-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C507-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C507-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0105
N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

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

C507-0105

Molecular Formula

C30H30ClN5O3 (C30 H30 ClN5 O3)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

CN(CCCNC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)cc(Cl)c1OC)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C30H30ClN5O3/c1-34(19-20-10-5-4-6-11-20)17-9-16-32-29(37)27-26-22-12-7-8-13-24(22)35(2)28(26)30(38)36(33-27)21-14-15-25(39-3)23(31)18-21/h4-8,10-15,18H,9,16-17,19H2,1-3H3,(H,32,37)

InChI Key

CKCDGGICETVIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-4.71

Polar Surface Area

63.950

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C507-0105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C507-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0105?
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What is the minimum amount of C507-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0105
  • 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 C507-0105 available by request