V022-0580 Screening compound: prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V022-0580 Screening compound: prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V022-0580 Screening compound: prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0580
prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

V022-0580

Molecular Formula

C21H31N3O5S (C21 H31 N3 O5 S)

Compound Name

prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 2-{[(3-ethoxy-2-hydroxypropyl)(2-methylpropyl)amino]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOCC(CN(CC(C)C)CC(N1)=Nc(sc(C(OCC=C)=O)c2C)c2C1=O)O

InChI

InChI=1S/C21H31N3O5S/c1-6-8-29-21(27)18-14(5)17-19(26)22-16(23-20(17)30-18)11-24(9-13(3)4)10-15(25)12-28-7-2/h6,13,15,25H,1,7-12H2,2-5H3,(H,22,23,26)/t15-/m0/s1

InChI Key

OXURHUPSALOWBI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19873478

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-2.68

Polar Surface Area

84.784

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

V022-0580 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0580?
Check Price and Availability of V022-0580, 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 V022-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0580
  • 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 V022-0580 available by request