C094-1664 Screening compound: N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide

C094-1664 Screening compound: N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide
C094-1664 Screening compound: N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1664
N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide

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

C094-1664

Molecular Formula

C21H28N2O2S2 (C21 H28 N2 O2 S2)

Compound Name

N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide

IUPAC name

N-cyclopentyl-2-methyl-2-[2-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]acetamido]butanamide

SMILES

CCC(C)(C(NC1CCCC1)=O)N(Cc1cccs1)C(Cc1cccs1)=O

InChI

InChI=1S/C21H28N2O2S2/c1-3-21(2,20(25)22-16-8-4-5-9-16)23(15-18-11-7-13-27-18)19(24)14-17-10-6-12-26-17/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,22,25)/t21-/m0/s1

InChI Key

PCMWZQUVHYXVHK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03450006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.24

Polar Surface Area

41.775

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

C094-1664 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C094-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1664?
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What is the minimum amount of C094-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1664
  • 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 C094-1664 available by request