V023-1412 Screening compound: 2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V023-1412 Screening compound: 2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V023-1412 Screening compound: 2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-1412
2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]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

V023-1412

Molecular Formula

C25H30F3N3O2 (C25 H30 F3 N3 O2)

Compound Name

2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

IUPAC name

2-[4-(2-methylbutanamido)piperidin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

CCC(C)C(NC(CC1)CCN1c(cccc1)c1C(NCc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C25H30F3N3O2/c1-3-17(2)23(32)30-20-11-13-31(14-12-20)22-10-5-4-9-21(22)24(33)29-16-18-7-6-8-19(15-18)25(26,27)28/h4-10,15,17,20H,3,11-14,16H2,1-2H3,(H,29,33)(H,30,32)/t17-/m0/s1

InChI Key

WTVLVUTVMGLJIM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19893581

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.60

Polar Surface Area

52.021

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V023-1412 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-1412?
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What is the minimum amount of V023-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-1412
  • 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 V023-1412 available by request