V006-9618 Screening compound: ethyl 1-{[2-(3-methylphenyl)-4-piperidino-5-pyrimidinyl]carbonyl}-3-piperidinecarboxylate

V006-9618 Screening compound: ethyl 1-{[2-(3-methylphenyl)-4-piperidino-5-pyrimidinyl]carbonyl}-3-piperidinecarboxylate
V006-9618 Screening compound: ethyl 1-{[2-(3-methylphenyl)-4-piperidino-5-pyrimidinyl]carbonyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9618
ethyl 1-{[2-(3-methylphenyl)-4-piperidino-5-pyrimidinyl]carbonyl}-3-piperidinecarboxylate

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

V006-9618

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

ethyl 1-{[2-(3-methylphenyl)-4-piperidino-5-pyrimidinyl]carbonyl}-3-piperidinecarboxylate

IUPAC name

n/a

SMILES

CCOC(C(CCC1)CN1C(c1c(N2CCCCC2)nc(-c2cc(C)ccc2)nc1)=O)=O

InChI

InChI=1S/C25H32N4O3/c1-3-32-25(31)20-11-8-14-29(17-20)24(30)21-16-26-22(19-10-7-9-18(2)15-19)27-23(21)28-12-5-4-6-13-28/h7,9-10,15-16,20H,3-6,8,11-14,17H2,1-2H3/t20-/m0/s1

InChI Key

KVNFCWWAVQVDMY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14251397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.19

Polar Surface Area

59.781

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V006-9618 in Drug Discovery

Included in Screening Libraries

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 V006-9618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9618?
Check Price and Availability of V006-9618, 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 V006-9618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9618
  • 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 V006-9618 available by request