V022-0591 Screening compound: prop-2-en-1-yl 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V022-0591 Screening compound: prop-2-en-1-yl 2-{[(2-hydroxy-3-phenoxypropyl)(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V022-0591 Screening compound: prop-2-en-1-yl 2-{[(2-hydroxy-3-phenoxypropyl)(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 V022-0591
prop-2-en-1-yl 2-{[(2-hydroxy-3-phenoxypropyl)(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

V022-0591

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

prop-2-en-1-yl 2-{[(2-hydroxy-3-phenoxypropyl)(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-phenoxypropyl)(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(COc2ccccc2)O)N2)c1C2=O

InChI

InChI=1S/C24H29N3O6S/c1-4-11-32-24(30)21-16(2)20-22(29)25-19(26-23(20)34-21)14-27(10-12-31-3)13-17(28)15-33-18-8-6-5-7-9-18/h4-9,17,28H,1,10-15H2,2-3H3,(H,25,26,29)/t17-/m0/s1

InChI Key

UPMYBXVWEKOPIW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19873721

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.77

Polar Surface Area

92.273

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V022-0591 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 V022-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0591?
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What is the minimum amount of V022-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0591
  • 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 V022-0591 available by request