V021-3196 Screening compound: 2-{[[3-(allyloxy)-2-hydroxypropyl](propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V021-3196 Screening compound: 2-{[[3-(allyloxy)-2-hydroxypropyl](propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V021-3196 Screening compound: 2-{[[3-(allyloxy)-2-hydroxypropyl](propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3196
2-{[[3-(allyloxy)-2-hydroxypropyl](propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

V021-3196

Molecular Formula

C20H29N3O3S (C20 H29 N3 O3 S)

Compound Name

2-{[[3-(allyloxy)-2-hydroxypropyl](propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-({[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propyl)amino}methyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCN(CC(COCC=C)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C20H29N3O3S/c1-3-9-23(11-14(24)13-26-10-4-2)12-17-21-19(25)18-15-7-5-6-8-16(15)27-20(18)22-17/h4,14,24H,2-3,5-13H2,1H3,(H,21,22,25)/t14-/m0/s1

InChI Key

JSGSJIMTTYDQPI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19871209

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-2.86

Polar Surface Area

63.929

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V021-3196 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-3196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3196?
Check Price and Availability of V021-3196, 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 V021-3196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3196
  • 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 V021-3196 available by request