L702-0404 Screening compound: methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate

L702-0404 Screening compound: methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate
L702-0404 Screening compound: methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L702-0404
methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate

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

L702-0404

Molecular Formula

C19H20N4O5 (C19 H20 N4 O5)

Compound Name

methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[6-oxo-3-(pyrrolidine-1-carbonyl)-16-dihydropyridazin-1-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CN(C(C=C1)=O)N=C1C(N1CCCC1)=O)=O)=O

InChI

InChI=1S/C19H20N4O5/c1-28-19(27)13-6-2-3-7-14(13)20-16(24)12-23-17(25)9-8-15(21-23)18(26)22-10-4-5-11-22/h2-3,6-9H,4-5,10-12H2,1H3,(H,20,24)

InChI Key

XZQFSVUIUURJQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.127

Water Solubility, LogSw

-2.44

Polar Surface Area

89.459

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L702-0404 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L702-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L702-0404?
Check Price and Availability of L702-0404, 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 L702-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L702-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L702-0404
  • 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 L702-0404 available by request