V014-5954 Screening compound: 2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one

V014-5954 Screening compound: 2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
V014-5954 Screening compound: 2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5954
2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-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

V014-5954

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

2-{[cyclopropyl(2-hydroxy-2-phenylethyl)amino]methyl}-5-(2-methoxyphenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

COc(cccc1)c1-c1csc(N=C(CN(CC(c2ccccc2)O)C2CC2)N2)c1C2=O

InChI

InChI=1S/C25H25N3O3S/c1-31-21-10-6-5-9-18(21)19-15-32-25-23(19)24(30)26-22(27-25)14-28(17-11-12-17)13-20(29)16-7-3-2-4-8-16/h2-10,15,17,20,29H,11-14H2,1H3,(H,26,27,30)/t20-/m0/s1

InChI Key

UHFKUCUKDDPMKF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19873382

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.97

Polar Surface Area

61.493

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

V014-5954 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V014-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5954?
Check Price and Availability of V014-5954, 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 V014-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5954
  • 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 V014-5954 available by request