C094-2195 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

C094-2195 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
C094-2195 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2195
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

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

C094-2195

Molecular Formula

C31H35N3O7 (C31 H35 N3 O7)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-(phenylformamido)acetamido}-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1OC)N(Cc(cc1)cc2c1OCO2)C(CNC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C31H35N3O7/c1-3-39-17-7-16-32-31(37)29(23-11-13-25(38-2)14-12-23)34(20-22-10-15-26-27(18-22)41-21-40-26)28(35)19-33-30(36)24-8-5-4-6-9-24/h4-6,8-15,18,29H,3,7,16-17,19-21H2,1-2H3,(H,32,37)(H,33,36)/t29-/m1/s1

InChI Key

QLPJSQPAOVJEGM-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD03828832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.53

Polar Surface Area

96.483

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

C094-2195 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C094-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2195?
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What is the minimum amount of C094-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2195
  • 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 C094-2195 available by request