C094-2098 Screening compound: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]acetamide

C094-2098 Screening compound: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]acetamide
C094-2098 Screening compound: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2098
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]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

C094-2098

Molecular Formula

C28H30ClN3O3S (C28 H30 ClN3 O3 S)

Compound Name

2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]acetamide

IUPAC name

2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[2-(1H-indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamido]acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1Cl)N(Cc1cccs1)C(Cc1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C28H30ClN3O3S/c1-2-35-15-6-14-30-28(34)27(20-10-12-22(29)13-11-20)32(19-23-7-5-16-36-23)26(33)17-21-18-31-25-9-4-3-8-24(21)25/h3-5,7-13,16,18,27,31H,2,6,14-15,17,19H2,1H3,(H,30,34)/t27-/m1/s1

InChI Key

LFPMDTUCMGPQGC-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03828800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-5.59

Polar Surface Area

58.028

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C094-2098 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C094-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2098?
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What is the minimum amount of C094-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2098
  • 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 C094-2098 available by request