V022-0603 Screening compound: prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V022-0603 Screening compound: prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V022-0603 Screening compound: prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0603
prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)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

V022-0603

Molecular Formula

C21H27N3O6S (C21 H27 N3 O6 S)

Compound Name

prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 2-({[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methoxyethyl)amino}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

Cc1c(C(OCC=C)=O)sc(N=C(CN(CCOC)CC(COCC#C)O)N2)c1C2=O

InChI

InChI=1S/C21H27N3O6S/c1-5-8-29-13-15(25)11-24(7-10-28-4)12-16-22-19(26)17-14(3)18(31-20(17)23-16)21(27)30-9-6-2/h1,6,15,25H,2,7-13H2,3-4H3,(H,22,23,26)/t15-/m0/s1

InChI Key

GDMFRMSOVWIVHQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19873722

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.978

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-2.20

Polar Surface Area

93.399

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V022-0603 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V022-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0603?
Check Price and Availability of V022-0603, 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 V022-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0603
  • 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 V022-0603 available by request