1359-0054 Screening compound: N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

1359-0054 Screening compound: N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide
1359-0054 Screening compound: N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1359-0054
N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

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

1359-0054

Molecular Formula

C21H18IN3O4 (C21 H18 IN3 O4)

Compound Name

N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

IUPAC name

N-({N'-[(E)-[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NCC(N/N=C/c1ccc(-c(cc2)ccc2I)o1)=O)=O

InChI

InChI=1S/C21H18IN3O4/c1-28-19-5-3-2-4-17(19)21(27)23-13-20(26)25-24-12-16-10-11-18(29-16)14-6-8-15(22)9-7-14/h2-12H,13H2,1H3,(H,23,27)(H,25,26)

InChI Key

CRGIKZRCAJPXPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00638106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.295

Water Solubility, LogSw

-5.31

Polar Surface Area

75.226

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

1359-0054 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 1359-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1359-0054?
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What is the minimum amount of 1359-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1359-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1359-0054
  • 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 1359-0054 available by request