3740-0657 Screening compound: 3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid

3740-0657 Screening compound: 3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid
3740-0657 Screening compound: 3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0657
3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid

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

3740-0657

Molecular Formula

C21H18BrN3O4 (C21 H18 BrN3 O4)

Compound Name

3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid

IUPAC name

3-{N'-[(1E)-1-(6-bromo-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)ethylidene]hydrazinecarbonyl}propanoic acid

SMILES

C/C(/C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O)=N\NC(CCC(O)=O)=O

InChI

InChI=1S/C21H18BrN3O4/c1-12(24-25-17(26)9-10-18(27)28)19-20(13-5-3-2-4-6-13)15-11-14(22)7-8-16(15)23-21(19)29/h2-8,11H,9-10H2,1H3,(H,23,29)(H,25,26)(H,27,28)

InChI Key

ZVZGSHSUYGOVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

0.092

Water Solubility, LogSw

-3.59

Polar Surface Area

87.890

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3740-0657 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3740-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0657?
Check Price and Availability of 3740-0657, 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 3740-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0657
  • 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 3740-0657 available by request