6161-0011 Screening compound: N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)formamido]acetamide

6161-0011 Screening compound: N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)formamido]acetamide
6161-0011 Screening compound: N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6161-0011
N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)formamido]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

6161-0011

Molecular Formula

C30H33FN2O5 (C30 H33 FN2 O5)

Compound Name

N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)formamido]acetamide

IUPAC name

N-cyclopentyl-2-(4-fluorophenyl)-2-[N-(4-methylphenyl)-1-(345-trimethoxyphenyl)formamido]acetamide

SMILES

Cc(cc1)ccc1N(C(C(NC1CCCC1)=O)c(cc1)ccc1F)C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C30H33FN2O5/c1-19-9-15-24(16-10-19)33(30(35)21-17-25(36-2)28(38-4)26(18-21)37-3)27(20-11-13-22(31)14-12-20)29(34)32-23-7-5-6-8-23/h9-18,23,27H,5-8H2,1-4H3,(H,32,34)/t27-/m1/s1

InChI Key

YTNPTLQLDCKTPK-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14711215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.257

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.09

Polar Surface Area

62.164

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6161-0011 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 6161-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6161-0011?
Check Price and Availability of 6161-0011, 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 6161-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6161-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6161-0011
  • 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 6161-0011 available by request