C795-2437 Screening compound: methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)benzoate

C795-2437 Screening compound: methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)benzoate
C795-2437 Screening compound: methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2437
methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)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

C795-2437

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)benzoate

IUPAC name

methyl 3-[2-(4-methoxyphenoxy)acetamido]-4-(4-methylpiperazin-1-yl)benzoate

SMILES

CN(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(COc(cc1)ccc1OC)=O

InChI

InChI=1S/C22H27N3O5/c1-24-10-12-25(13-11-24)20-9-4-16(22(27)29-3)14-19(20)23-21(26)15-30-18-7-5-17(28-2)6-8-18/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)

InChI Key

VQQGQOFJSQIRDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-3.47

Polar Surface Area

65.263

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C795-2437 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C795-2437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2437?
Check Price and Availability of C795-2437, 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 C795-2437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2437
  • 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 C795-2437 available by request