8013-0970 Screening compound: 6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide

8013-0970 Screening compound: 6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide
8013-0970 Screening compound: 6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0970
6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide

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

8013-0970

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

6-methoxy-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-chromene-3-carboxamide

SMILES

CCC(C)(C#C)NC(C1=Cc(cc(cc2)OC)c2OC1=O)=O

InChI

InChI=1S/C17H17NO4/c1-5-17(3,6-2)18-15(19)13-10-11-9-12(21-4)7-8-14(11)22-16(13)20/h1,7-10H,6H2,2-4H3,(H,18,19)/t17-/m1/s1

InChI Key

PFJWXIAQSVVDIC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03408924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-3.01

Polar Surface Area

53.147

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8013-0970 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8013-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0970?
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What is the minimum amount of 8013-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0970
  • 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 8013-0970 available by request