V031-2181 Screening compound: 5-(4-chlorophenyl)-2-{[(2-methylpropyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

V031-2181 Screening compound: 5-(4-chlorophenyl)-2-{[(2-methylpropyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
V031-2181 Screening compound: 5-(4-chlorophenyl)-2-{[(2-methylpropyl)amino]methyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2181
5-(4-chlorophenyl)-2-{[(2-methylpropyl)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

V031-2181

Molecular Formula

C17H18ClN3OS (C17 H18 ClN3 OS)

Compound Name

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

IUPAC name

5-(4-chlorophenyl)-2-{[(2-methylpropyl)amino]methyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(C)CNCC(N1)=Nc(scc2-c(cc3)ccc3Cl)c2C1=O

InChI

InChI=1S/C17H18ClN3OS/c1-10(2)7-19-8-14-20-16(22)15-13(9-23-17(15)21-14)11-3-5-12(18)6-4-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21,22)

InChI Key

NWZAQNAFHRNQIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870419

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

347.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-4.92

Polar Surface Area

46.840

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V031-2181 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V031-2181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2181?
Check Price and Availability of V031-2181, 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 V031-2181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2181
  • 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 V031-2181 available by request