C301-4594 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazole-8-sulfonamide

C301-4594 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazole-8-sulfonamide
C301-4594 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazole-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4594
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazole-8-sulfonamide

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

C301-4594

Molecular Formula

C19H15N3O6S (C19 H15 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazole-8-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H4H-chromeno[34-d]imidazole-8-sulfonamide

SMILES

Cn1c(-c(cc(cc2)S(NCc(cc3)cc4c3OCO4)(=O)=O)c2OC2=O)c2nc1

InChI

InChI=1S/C19H15N3O6S/c1-22-9-20-17-18(22)13-7-12(3-5-14(13)28-19(17)23)29(24,25)21-8-11-2-4-15-16(6-11)27-10-26-15/h2-7,9,21H,8,10H2,1H3

InChI Key

VZKBVUOABYPYGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-3.09

Polar Surface Area

91.787

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C301-4594 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-4594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4594?
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What is the minimum amount of C301-4594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4594
  • 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 C301-4594 available by request