8016-5814 Screening compound: O~1~-(2-methoxybenzoyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]ethanehydroximamide

8016-5814 Screening compound: O~1~-(2-methoxybenzoyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]ethanehydroximamide
8016-5814 Screening compound: O~1~-(2-methoxybenzoyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]ethanehydroximamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5814
O~1~-(2-methoxybenzoyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]ethanehydroximamide

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

8016-5814

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

O~1~-(2-methoxybenzoyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]ethanehydroximamide

IUPAC name

(Z)-[1-amino-2-({6-methyl-3-oxo-1H3H-furo[34-c]pyridin-4-yl}sulfanyl)ethylidene]amino 2-methoxybenzoate

SMILES

Cc1cc(COC2=O)c2c(SC/C(/N)=N/OC(c(cccc2)c2OC)=O)n1

InChI

InChI=1S/C18H17N3O5S/c1-10-7-11-8-25-18(23)15(11)16(20-10)27-9-14(19)21-26-17(22)12-5-3-4-6-13(12)24-2/h3-7H,8-9H2,1-2H3,(H2,19,21)

InChI Key

GJAATVQBIIBISC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-2.56

Polar Surface Area

90.768

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8016-5814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5814?
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What is the minimum amount of 8016-5814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5814
  • 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 8016-5814 available by request