C094-2101 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C094-2101 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
C094-2101 Screening compound: 2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2101
2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)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

C094-2101

Molecular Formula

C26H27ClN2O5S (C26 H27 ClN2 O5 S)

Compound Name

2-[1-(2H-1,3-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

IUPAC name

2-[1-(2H-13-benzodioxol-5-yl)-N-[(thiophen-2-yl)methyl]formamido]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1Cl)N(Cc1cccs1)C(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C26H27ClN2O5S/c1-2-32-13-4-12-28-25(30)24(18-6-9-20(27)10-7-18)29(16-21-5-3-14-35-21)26(31)19-8-11-22-23(15-19)34-17-33-22/h3,5-11,14-15,24H,2,4,12-13,16-17H2,1H3,(H,28,30)/t24-/m1/s1

InChI Key

HSIFSXVFSOOSDC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03828801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-5.09

Polar Surface Area

65.800

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C094-2101 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C094-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2101?
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What is the minimum amount of C094-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2101
  • 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 C094-2101 available by request