D236-0041 Screening compound: 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid

D236-0041 Screening compound: 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid
D236-0041 Screening compound: 2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D236-0041
2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid

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

D236-0041

Molecular Formula

C14H15F3N2O3 (C14 H15 F3 N2 O3)

Compound Name

2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid

IUPAC name

2-(3-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}piperazin-2-yl)acetic acid

SMILES

OC(CC1N(Cc2cccc(C(F)(F)F)c2)CCNC1=O)=O

InChI

InChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-1-2-9(6-10)8-19-5-4-18-13(22)11(19)7-12(20)21/h1-3,6,11H,4-5,7-8H2,(H,18,22)(H,20,21)/t11-/m0/s1

InChI Key

YMTPGRMYKKKBTG-NSHDSACASA-N

MDL Number (MFCD)

MFCD05666786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.690

Distribution Coefficient, logD

-2.259

Water Solubility, LogSw

-1.68

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D236-0041 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D236-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D236-0041?
Check Price and Availability of D236-0041, 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 D236-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D236-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D236-0041
  • 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 D236-0041 available by request