V002-6453 Screening compound: N~4~-(4-methoxyphenyl)-1-[(2S)-2-({(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoyl}amino)propanoyl]-4-piperidinecarboxamide

V002-6453 Screening compound: N~4~-(4-methoxyphenyl)-1-[(2S)-2-({(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoyl}amino)propanoyl]-4-piperidinecarboxamide
V002-6453 Screening compound: N~4~-(4-methoxyphenyl)-1-[(2S)-2-({(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoyl}amino)propanoyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6453
N~4~-(4-methoxyphenyl)-1-[(2S)-2-({(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoyl}amino)propanoyl]-4-piperidinecarboxamide

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

V002-6453

Molecular Formula

C26H28F3N3O5 (C26 H28 F3 N3 O5)

Compound Name

N~4~-(4-methoxyphenyl)-1-[(2S)-2-({(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoyl}amino)propanoyl]-4-piperidinecarboxamide

IUPAC name

N-(4-methoxyphenyl)-1-[(2S)-2-[(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamido]propanoyl]piperidine-4-carboxamide

SMILES

C[C@@H](C(N(CC1)CCC1C(Nc(cc1)ccc1OC)=O)=O)NC(/C=C/c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C26H28F3N3O5/c1-17(30-23(33)12-5-18-3-8-22(9-4-18)37-26(27,28)29)25(35)32-15-13-19(14-16-32)24(34)31-20-6-10-21(36-2)11-7-20/h3-12,17,19H,13-16H2,1-2H3,(H,30,33)(H,31,34)/t17-/m0/s1

InChI Key

FZNPQJXTXJFHTF-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.16

Polar Surface Area

77.093

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V002-6453 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-6453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6453?
Check Price and Availability of V002-6453, 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 V002-6453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6453
  • 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 V002-6453 available by request