1359-0184 Screening compound: 3-[(E)-({2-[(3-METHOXYPHENYL)FORMAMIDO]ACETAMIDO}IMINO)METHYL]PHENYL 4-NITROBENZOATE

1359-0184 Screening compound: 3-[(E)-({2-[(3-METHOXYPHENYL)FORMAMIDO]ACETAMIDO}IMINO)METHYL]PHENYL 4-NITROBENZOATE
1359-0184 Screening compound: 3-[(E)-({2-[(3-METHOXYPHENYL)FORMAMIDO]ACETAMIDO}IMINO)METHYL]PHENYL 4-NITROBENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1359-0184
3-[(E)-({2-[(3-METHOXYPHENYL)FORMAMIDO]ACETAMIDO}IMINO)METHYL]PHENYL 4-NITROBENZOATE

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

1359-0184

Molecular Formula

C24H20N4O7 (C24 H20 N4 O7)

Compound Name

3-[(E)-({2-[(3-METHOXYPHENYL)FORMAMIDO]ACETAMIDO}IMINO)METHYL]PHENYL 4-NITROBENZOATE

IUPAC name

n/a

SMILES

COc1cccc(C(NCC(N/N=C/c2cccc(OC(c(cc3)ccc3[N+]([O-])=O)=O)c2)=O)=O)c1

InChI

InChI=1S/C24H20N4O7/c1-34-20-6-3-5-18(13-20)23(30)25-15-22(29)27-26-14-16-4-2-7-21(12-16)35-24(31)17-8-10-19(11-9-17)28(32)33/h2-14H,15H2,1H3,(H,25,30)(H,27,29)

InChI Key

YKVWPPGEFKVJRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.90

Polar Surface Area

121.329

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1359-0184 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1359-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1359-0184?
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What is the minimum amount of 1359-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1359-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1359-0184
  • 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 1359-0184 available by request