V021-8821 Screening compound: 2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V021-8821 Screening compound: 2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V021-8821 Screening compound: 2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8821
2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-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

V021-8821

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-[({3-[(furan-2-yl)methoxy]-2-hydroxypropyl}(3-methoxypropyl)amino)methyl]-5-(4-methylphenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc(cc1)ccc1-c1csc(N=C(CN(CCCOC)CC(COCc2ccco2)O)N2)c1C2=O

InChI

InChI=1S/C26H31N3O5S/c1-18-6-8-19(9-7-18)22-17-35-26-24(22)25(31)27-23(28-26)14-29(10-4-11-32-2)13-20(30)15-33-16-21-5-3-12-34-21/h3,5-9,12,17,20,30H,4,10-11,13-16H2,1-2H3,(H,27,28,31)/t20-/m0/s1

InChI Key

NKMAJYLZGDLSEB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19873854

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.86

Polar Surface Area

79.638

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

V021-8821 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 V021-8821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8821?
Check Price and Availability of V021-8821, 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 V021-8821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8821
  • 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 V021-8821 available by request