V008-5067 Screening compound: N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

V008-5067 Screening compound: N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
V008-5067 Screening compound: N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5067
N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

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

V008-5067

Molecular Formula

C28H35F3N6O4 (C28 H35 F3 N6 O4)

Compound Name

N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

IUPAC name

N-[3-(4-{[(3-methoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

SMILES

COc1cccc(CNC(C(CC2)CCN2C(CCNC(C(CC2)CCN2c2nccc(C(F)(F)F)n2)=O)=O)=O)c1

InChI

InChI=1S/C28H35F3N6O4/c1-41-22-4-2-3-19(17-22)18-34-26(40)21-7-13-36(14-8-21)24(38)6-12-32-25(39)20-9-15-37(16-10-20)27-33-11-5-23(35-27)28(29,30)31/h2-5,11,17,20-21H,6-10,12-16,18H2,1H3,(H,32,39)(H,34,40)

InChI Key

LSOQZFYTPALOSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966014

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.843

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-2.06

Polar Surface Area

94.226

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

V008-5067 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V008-5067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5067?
Check Price and Availability of V008-5067, 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 V008-5067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5067
  • 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 V008-5067 available by request