1761-1096 Screening compound: N-(4-iodophenyl)-3-{N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide

1761-1096 Screening compound: N-(4-iodophenyl)-3-{N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide
1761-1096 Screening compound: N-(4-iodophenyl)-3-{N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1761-1096
N-(4-iodophenyl)-3-{N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide

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

1761-1096

Molecular Formula

C20H20IN3O2 (C20 H20 IN3 O2)

Compound Name

N-(4-iodophenyl)-3-{N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide

IUPAC name

N-(4-iodophenyl)-3-{N'-[(2Z3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbonyl}propanamide

SMILES

C/C(/C=C/c1ccccc1)=N/NC(CCC(Nc(cc1)ccc1I)=O)=O

InChI

InChI=1S/C20H20IN3O2/c1-15(7-8-16-5-3-2-4-6-16)23-24-20(26)14-13-19(25)22-18-11-9-17(21)10-12-18/h2-12H,13-14H2,1H3,(H,22,25)(H,24,26)

InChI Key

HADHJAGMZUUIAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01206011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.30

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1761-1096 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 1761-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1761-1096?
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What is the minimum amount of 1761-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1761-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1761-1096
  • 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 1761-1096 available by request