V008-7500 Screening compound: ethyl 5-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

V008-7500 Screening compound: ethyl 5-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate
V008-7500 Screening compound: ethyl 5-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7500
ethyl 5-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

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

V008-7500

Molecular Formula

C27H36N4O6 (C27 H36 N4 O6)

Compound Name

ethyl 5-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

IUPAC name

ethyl 5-[4-(3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

SMILES

CCOC(CCCC(N(CC1)CCN1c(nccc1)c1C(NCCc(cc1)cc(OC)c1OC)=O)=O)=O

InChI

InChI=1S/C27H36N4O6/c1-4-37-25(33)9-5-8-24(32)30-15-17-31(18-16-30)26-21(7-6-13-28-26)27(34)29-14-12-20-10-11-22(35-2)23(19-20)36-3/h6-7,10-11,13,19H,4-5,8-9,12,14-18H2,1-3H3,(H,29,34)

InChI Key

NZOGXICAEDQNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946204

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-2.38

Polar Surface Area

88.546

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

V008-7500 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 V008-7500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7500?
Check Price and Availability of V008-7500, 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 V008-7500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7500
  • 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 V008-7500 available by request