1094-0026 Screening compound: 4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide

1094-0026 Screening compound: 4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
1094-0026 Screening compound: 4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1094-0026
4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide

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

1094-0026

Molecular Formula

C18H13ClN4O4 (C18 H13 ClN4 O4)

Compound Name

4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide

IUPAC name

4-chloro-3-nitro-N'-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-3-ylidene]benzohydrazide

SMILES

C=CCN(c(cccc1)c1/C1=N/NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)C1=O

InChI

InChI=1S/C18H13ClN4O4/c1-2-9-22-14-6-4-3-5-12(14)16(18(22)25)20-21-17(24)11-7-8-13(19)15(10-11)23(26)27/h2-8,10H,1,9H2,(H,21,24)

InChI Key

AQPVSOOFILJKAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-3.98

Polar Surface Area

82.920

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1094-0026 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1094-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1094-0026?
Check Price and Availability of 1094-0026, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1094-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1094-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1094-0026
  • 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 1094-0026 available by request