V031-1578 Screening compound: 5-(2,4-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

V031-1578 Screening compound: 5-(2,4-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
V031-1578 Screening compound: 5-(2,4-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1578
5-(2,4-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-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

V031-1578

Molecular Formula

C20H25N3OS (C20 H25 N3 OS)

Compound Name

5-(2,4-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(24-dimethylphenyl)-2-{[(3-methylbutyl)amino]methyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(C)CCNCC(N1)=Nc(scc2-c3c(C)cc(C)cc3)c2C1=O

InChI

InChI=1S/C20H25N3OS/c1-12(2)7-8-21-10-17-22-19(24)18-16(11-25-20(18)23-17)15-6-5-13(3)9-14(15)4/h5-6,9,11-12,21H,7-8,10H2,1-4H3,(H,22,23,24)

InChI Key

SRTRJQFVUIQPIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870451

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.24

Polar Surface Area

46.682

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V031-1578 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V031-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1578?
Check Price and Availability of V031-1578, 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 V031-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1578
  • 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 V031-1578 available by request