C507-0226 Screening compound: 2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

C507-0226 Screening compound: 2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate
C507-0226 Screening compound: 2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0226
2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

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

C507-0226

Molecular Formula

C32H32ClN5O5 (C32 H32 ClN5 O5)

Compound Name

2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-amido]benzoate

IUPAC name

2-(diethylamino)ethyl 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-amido]benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)cc(Cl)c1OC)C2=O)=O)=O

InChI

InChI=1S/C32H32ClN5O5/c1-5-37(6-2)17-18-43-32(41)20-11-13-21(14-12-20)34-30(39)28-27-23-9-7-8-10-25(23)36(3)29(27)31(40)38(35-28)22-15-16-26(42-4)24(33)19-22/h7-16,19H,5-6,17-18H2,1-4H3,(H,34,39)

InChI Key

SSIWQYDGHCDJNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.09

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-6.19

Polar Surface Area

83.151

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C507-0226 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C507-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0226?
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What is the minimum amount of C507-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0226
  • 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 C507-0226 available by request