V012-5527 Screening compound: N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide

V012-5527 Screening compound: N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide
V012-5527 Screening compound: N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5527
N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide

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

V012-5527

Molecular Formula

C26H29F3N2O3 (C26 H29 F3 N2 O3)

Compound Name

N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide

IUPAC name

N-cyclopentyl-4-methyl-N-({4-[4-(trifluoromethyl)benzoyl]morpholin-2-yl}methyl)benzamide

SMILES

Cc(cc1)ccc1C(N(CC(C1)OCCN1C(c1ccc(C(F)(F)F)cc1)=O)C1CCCC1)=O

InChI

InChI=1S/C26H29F3N2O3/c1-18-6-8-20(9-7-18)25(33)31(22-4-2-3-5-22)17-23-16-30(14-15-34-23)24(32)19-10-12-21(13-11-19)26(27,28)29/h6-13,22-23H,2-5,14-17H2,1H3/t23-/m1/s1

InChI Key

IGIKIHSRYMSQRT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19918696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.31

Polar Surface Area

40.466

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V012-5527 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-5527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5527?
Check Price and Availability of V012-5527, 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 V012-5527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5527
  • 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 V012-5527 available by request