C094-1696 Screening compound: N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)acetamido]butanamide

C094-1696 Screening compound: N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)acetamido]butanamide
C094-1696 Screening compound: N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)acetamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1696
N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)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

C094-1696

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)acetamido]butanamide

IUPAC name

N-cyclopentyl-2-methyl-2-[N-phenyl-2-(phenylformamido)acetamido]butanamide

SMILES

CCC(C)(C(NC1CCCC1)=O)N(C(CNC(c1ccccc1)=O)=O)c1ccccc1

InChI

InChI=1S/C25H31N3O3/c1-3-25(2,24(31)27-20-14-10-11-15-20)28(21-16-8-5-9-17-21)22(29)18-26-23(30)19-12-6-4-7-13-19/h4-9,12-13,16-17,20H,3,10-11,14-15,18H2,1-2H3,(H,26,30)(H,27,31)/t25-/m0/s1

InChI Key

CIKDXAOMDFOFTN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03450014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.87

Polar Surface Area

63.943

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C094-1696 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C094-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1696?
Check Price and Availability of C094-1696, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C094-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1696
  • 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 C094-1696 available by request