V029-9587 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

V029-9587 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
V029-9587 Screening compound: 4-(2H-1,3-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9587
4-(2H-1,3-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

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

V029-9587

Molecular Formula

C17H21N5O3 (C17 H21 N5 O3)

Compound Name

4-(2H-1,3-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

IUPAC name

4-(2H-13-benzodioxol-5-yloxy)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

SMILES

CCN(CC1)CCN1c(ncnc1Oc(cc2)cc3c2OCO3)c1N

InChI

InChI=1S/C17H21N5O3/c1-2-21-5-7-22(8-6-21)16-15(18)17(20-10-19-16)25-12-3-4-13-14(9-12)24-11-23-13/h3-4,9-10H,2,5-8,11,18H2,1H3

InChI Key

GDIOCODNBKMGKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20501374

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.56

Polar Surface Area

70.977

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V029-9587 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with V029-9587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9587?
Check Price and Availability of V029-9587, 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 V029-9587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9587
  • 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 V029-9587 available by request