V014-4447 Screening compound: methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

V014-4447 Screening compound: methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate
V014-4447 Screening compound: methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4447
methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]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

V014-4447

Molecular Formula

C24H28N4O6 (C24 H28 N4 O6)

Compound Name

methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

IUPAC name

methyl 5-[4-(3-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate

SMILES

COC(CCCC(N(CC1)CCN1c(nccc1)c1C(NCc(cc1)cc2c1OCO2)=O)=O)=O

InChI

InChI=1S/C24H28N4O6/c1-32-22(30)6-2-5-21(29)27-10-12-28(13-11-27)23-18(4-3-9-25-23)24(31)26-15-17-7-8-19-20(14-17)34-16-33-19/h3-4,7-9,14H,2,5-6,10-13,15-16H2,1H3,(H,26,31)

InChI Key

UAIQBSNAGUAZDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980095

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.42

Polar Surface Area

90.980

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V014-4447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4447?
Check Price and Availability of V014-4447, 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 V014-4447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4447
  • 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 V014-4447 available by request