V024-8676 Screening compound: ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate

V024-8676 Screening compound: ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate
V024-8676 Screening compound: ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8676
ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate

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

V024-8676

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(N(C)Cc2ccccc2)nc(-c2cc(C)ccc2)nc1)=O)=O

InChI

InChI=1S/C28H32N4O3/c1-4-35-28(34)23-14-9-15-32(19-23)27(33)24-17-29-25(22-13-8-10-20(2)16-22)30-26(24)31(3)18-21-11-6-5-7-12-21/h5-8,10-13,16-17,23H,4,9,14-15,18-19H2,1-3H3/t23-/m0/s1

InChI Key

HQLKYUJRVCKAPE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14251451

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.53

Polar Surface Area

59.283

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

V024-8676 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V024-8676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8676?
Check Price and Availability of V024-8676, 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 V024-8676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8676
  • 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 V024-8676 available by request