8009-9998 Screening compound: 2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide

8009-9998 Screening compound: 2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide
8009-9998 Screening compound: 2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9998
2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide

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

8009-9998

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide

IUPAC name

2-cyano-2-[(3E)-1-[(diethylcarbamoyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]acetamide

SMILES

CCN(CC)C(CN(c(cccc1)c1/C1=C(\C(N)=O)/C#N)C1=O)=O

InChI

InChI=1S/C17H18N4O3/c1-3-20(4-2)14(22)10-21-13-8-6-5-7-11(13)15(17(21)24)12(9-18)16(19)23/h5-8H,3-4,10H2,1-2H3,(H2,19,23)

InChI Key

GJZCIIQSJPZALV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.119

Distribution Coefficient, logD

0.119

Water Solubility, LogSw

-2.37

Polar Surface Area

82.498

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 8009-9998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9998?
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What is the minimum amount of 8009-9998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9998
  • 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 8009-9998 available by request