V022-8613 Screening compound: 2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V022-8613 Screening compound: 2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V022-8613 Screening compound: 2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8613
2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-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

V022-8613

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-{[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]methyl}-5-(4-methoxyphenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(C)CN(CC(Cc1ccccc1)O)CC(N1)=Nc(scc2-c(cc3)ccc3OC)c2C1=O

InChI

InChI=1S/C27H31N3O3S/c1-18(2)14-30(15-21(31)13-19-7-5-4-6-8-19)16-24-28-26(32)25-23(17-34-27(25)29-24)20-9-11-22(33-3)12-10-20/h4-12,17-18,21,31H,13-16H2,1-3H3,(H,28,29,32)/t21-/m0/s1

InChI Key

PQAVMHNMGWIILN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19873260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.63

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

4.975

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.60

Polar Surface Area

62.678

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V022-8613 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-8613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8613?
Check Price and Availability of V022-8613, 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 V022-8613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8613
  • 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 V022-8613 available by request