1988-2054 Screening compound: 3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

1988-2054 Screening compound: 3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
1988-2054 Screening compound: 3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2054
3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]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

1988-2054

Molecular Formula

C17H15N3O4 (C17 H15 N3 O4)

Compound Name

3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

IUPAC name

3-methyl-N'-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

SMILES

Cc1cccc(C(NNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)=O)c1

InChI

InChI=1S/C17H15N3O4/c1-12-4-2-6-14(10-12)17(22)19-18-16(21)9-8-13-5-3-7-15(11-13)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)

InChI Key

FVPQXTMEYYRBSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.32

Polar Surface Area

84.603

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1988-2054 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1988-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-2054?
Check Price and Availability of 1988-2054, 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 1988-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2054
  • 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 1988-2054 available by request