2182-0098 Screening compound: N-({N'-[(3E)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)acetamide

2182-0098 Screening compound: N-({N'-[(3E)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)acetamide
2182-0098 Screening compound: N-({N'-[(3E)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2182-0098
N-({N'-[(3E)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)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

2182-0098

Molecular Formula

C21H19ClN4O5 (C21 H19 ClN4 O5)

Compound Name

N-({N'-[(3E)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)acetamide

IUPAC name

N-({N'-[(3E)-1-acetyl-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-(4-chloro-2-methylphenoxy)acetamide

SMILES

CC(N(c(cccc1)c1/C1=N\NC(CNC(COc(cc2)c(C)cc2Cl)=O)=O)C1=O)=O

InChI

InChI=1S/C21H19ClN4O5/c1-12-9-14(22)7-8-17(12)31-11-19(29)23-10-18(28)24-25-20-15-5-3-4-6-16(15)26(13(2)27)21(20)30/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

WTNUPVWJHVQKHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-3.48

Polar Surface Area

94.757

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2182-0098 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2182-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2182-0098?
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What is the minimum amount of 2182-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2182-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2182-0098
  • 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 2182-0098 available by request