V016-8628 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V016-8628 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V016-8628 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)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 V016-8628
2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)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

V016-8628

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC(COc1ccccc1)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C23H29N3O4S/c1-29-12-11-26(13-16(27)15-30-17-7-3-2-4-8-17)14-20-24-22(28)21-18-9-5-6-10-19(18)31-23(21)25-20/h2-4,7-8,16,27H,5-6,9-15H2,1H3,(H,24,25,28)/t16-/m0/s1

InChI Key

HYJGPLAARQRWKD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19870877

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.049

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.46

Polar Surface Area

71.146

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V016-8628 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 V016-8628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8628?
Check Price and Availability of V016-8628, 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 V016-8628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8628
  • 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 V016-8628 available by request