2009-1686 Screening compound: methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

2009-1686 Screening compound: methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
2009-1686 Screening compound: methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2009-1686
methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

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

2009-1686

Molecular Formula

C20H18N4O6 (C20 H18 N4 O6)

Compound Name

methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

IUPAC name

methyl 2-[(3E)-3-({2-[(2E)-3-(furan-2-yl)prop-2-enamido]acetamido}imino)-2-oxo-23-dihydro-1H-indol-1-yl]acetate

SMILES

COC(CN(c(cccc1)c1/C1=N\NC(CNC(/C=C/c2ccco2)=O)=O)C1=O)=O

InChI

InChI=1S/C20H18N4O6/c1-29-18(27)12-24-15-7-3-2-6-14(15)19(20(24)28)23-22-17(26)11-21-16(25)9-8-13-5-4-10-30-13/h2-10H,11-12H2,1H3,(H,21,25)(H,22,26)

InChI Key

SJQKTTVXOSREHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-2.29

Polar Surface Area

102.447

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2009-1686 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2009-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2009-1686?
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What is the minimum amount of 2009-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2009-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2009-1686
  • 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 2009-1686 available by request