Y041-9740 Screening compound: methyl 5-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]-2-thiophenecarboxylate

Y041-9740 Screening compound: methyl 5-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]-2-thiophenecarboxylate
Y041-9740 Screening compound: methyl 5-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9740
methyl 5-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]-2-thiophenecarboxylate

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

Y041-9740

Molecular Formula

C20H19N3O5S (C20 H19 N3 O5 S)

Compound Name

methyl 5-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]-2-thiophenecarboxylate

IUPAC name

methyl 5-({78-dimethoxy-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}methyl)thiophene-2-carboxylate

SMILES

Cn1c(C(N(Cc2ccc(C(OC)=O)s2)N=C2)=O)c2c(cc2OC)c1cc2OC

InChI

InChI=1S/C20H19N3O5S/c1-22-14-8-16(27-3)15(26-2)7-12(14)13-9-21-23(19(24)18(13)22)10-11-5-6-17(29-11)20(25)28-4/h5-9H,10H2,1-4H3

InChI Key

NICCZXOURVRVQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.424

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.82

Polar Surface Area

67.606

Acid Dissociation Constant (pKa)

28.09

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-9740 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 Y041-9740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9740?
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What is the minimum amount of Y041-9740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9740
  • 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 Y041-9740 available by request