C094-2091 Screening compound: 2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

C094-2091 Screening compound: 2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide
C094-2091 Screening compound: 2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2091
2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

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

C094-2091

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

IUPAC name

2-[1-(4-acetamidophenyl)-N-[(thiophen-2-yl)methyl]formamido]-N-(3-ethoxypropyl)-2-phenylacetamide

SMILES

CCOCCCNC(C(c1ccccc1)N(Cc1cccs1)C(c(cc1)ccc1NC(C)=O)=O)=O

InChI

InChI=1S/C27H31N3O4S/c1-3-34-17-8-16-28-26(32)25(21-9-5-4-6-10-21)30(19-24-11-7-18-35-24)27(33)22-12-14-23(15-13-22)29-20(2)31/h4-7,9-15,18,25H,3,8,16-17,19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1

InChI Key

VZUAGESAELTFOE-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03828796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.63

Polar Surface Area

71.946

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C094-2091 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2091?
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What is the minimum amount of C094-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2091
  • 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 C094-2091 available by request