E902-0046 Screening compound: methyl 2-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

E902-0046 Screening compound: methyl 2-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate
E902-0046 Screening compound: methyl 2-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E902-0046
methyl 2-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)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

E902-0046

Molecular Formula

C21H18N4O4 (C21 H18 N4 O4)

Compound Name

methyl 2-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{8-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamido)benzoate

SMILES

Cc(cc1)cc2c1[nH]c1c2C=NN(CC(Nc(cccc2)c2C(OC)=O)=O)C1=O

InChI

InChI=1S/C21H18N4O4/c1-12-7-8-17-14(9-12)15-10-22-25(20(27)19(15)24-17)11-18(26)23-16-6-4-3-5-13(16)21(28)29-2/h3-10,24H,11H2,1-2H3,(H,23,26)

InChI Key

WYIYSGUPBFMOIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-3.05

Polar Surface Area

82.066

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with E902-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E902-0046?
Check Price and Availability of E902-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E902-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E902-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E902-0046
  • 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 E902-0046 available by request