E783-0181 Screening compound: ethyl 4-({1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate

E783-0181 Screening compound: ethyl 4-({1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate
E783-0181 Screening compound: ethyl 4-({1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E783-0181
ethyl 4-({1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate

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

E783-0181

Molecular Formula

C18H20N4O6S (C18 H20 N4 O6 S)

Compound Name

ethyl 4-({1-methyl-4-oxo-1H,4H-chromeno[3,4-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-({1-methyl-4-oxo-1H4H-chromeno[34-d]imidazol-8-yl}sulfonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)cc(-c2c3ncn2C)c1OC3=O)(=O)=O)=O

InChI

InChI=1S/C18H20N4O6S/c1-3-27-18(24)21-6-8-22(9-7-21)29(25,26)12-4-5-14-13(10-12)16-15(17(23)28-14)19-11-20(16)2/h4-5,10-11H,3,6-9H2,1-2H3

InChI Key

KPDOTBLSTCRWLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09053647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

1.181

Water Solubility, LogSw

-2.55

Polar Surface Area

87.404

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

E783-0181 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 E783-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E783-0181?
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What is the minimum amount of E783-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E783-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E783-0181
  • 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 E783-0181 available by request