8019-6123 Screening compound: 6-chloro-N~2~-(4-methoxybenzyl)-4-oxo-2-chromanecarboxamide

8019-6123 Screening compound: 6-chloro-N~2~-(4-methoxybenzyl)-4-oxo-2-chromanecarboxamide
8019-6123 Screening compound: 6-chloro-N~2~-(4-methoxybenzyl)-4-oxo-2-chromanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6123
6-chloro-N~2~-(4-methoxybenzyl)-4-oxo-2-chromanecarboxamide

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

8019-6123

Molecular Formula

C18H16ClNO4 (C18 H16 ClNO4)

Compound Name

6-chloro-N~2~-(4-methoxybenzyl)-4-oxo-2-chromanecarboxamide

IUPAC name

6-chloro-N-[(4-methoxyphenyl)methyl]-4-oxo-34-dihydro-2H-1-benzopyran-2-carboxamide

SMILES

COc1ccc(CNC(C(C2)Oc(ccc(Cl)c3)c3C2=O)=O)cc1

InChI

InChI=1S/C18H16ClNO4/c1-23-13-5-2-11(3-6-13)10-20-18(22)17-9-15(21)14-8-12(19)4-7-16(14)24-17/h2-8,17H,9-10H2,1H3,(H,20,22)/t17-/m1/s1

InChI Key

MHQQXTUEDNPGJQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10038523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.42

Polar Surface Area

52.431

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8019-6123 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-6123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6123?
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What is the minimum amount of 8019-6123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6123
  • 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 8019-6123 available by request