V022-0547 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V022-0547 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V022-0547 Screening compound: 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0547
2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)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

V022-0547

Molecular Formula

C26H29N3O5S (C26 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC(COc1ccccc1)O)CC(N1)=Nc(scc2-c(cc3)ccc3OC)c2C1=O

InChI

InChI=1S/C26H29N3O5S/c1-32-13-12-29(14-19(30)16-34-21-6-4-3-5-7-21)15-23-27-25(31)24-22(17-35-26(24)28-23)18-8-10-20(33-2)11-9-18/h3-11,17,19,30H,12-16H2,1-2H3,(H,27,28,31)/t19-/m0/s1

InChI Key

IMONYBVJYXRNHY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19873919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.97

Polar Surface Area

78.498

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V022-0547 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 V022-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0547?
Check Price and Availability of V022-0547, 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 V022-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0547
  • 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 V022-0547 available by request