V010-4008 Screening compound: ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V010-4008 Screening compound: ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V010-4008 Screening compound: ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4008
ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)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

V010-4008

Molecular Formula

C18H25N3O4S (C18 H25 N3 O4 S)

Compound Name

ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)amino]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(2-hydroxybutyl)(prop-2-en-1-yl)amino]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCC(CN(CC=C)CC(N1)=Nc(sc(C(OCC)=O)c2C)c2C1=O)O

InChI

InChI=1S/C18H25N3O4S/c1-5-8-21(9-12(22)6-2)10-13-19-16(23)14-11(4)15(18(24)25-7-3)26-17(14)20-13/h5,12,22H,1,6-10H2,2-4H3,(H,19,20,23)/t12-/m0/s1

InChI Key

CEPRZTXSGXJZKP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19873445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-2.53

Polar Surface Area

76.409

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V010-4008 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V010-4008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4008?
Check Price and Availability of V010-4008, 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 V010-4008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4008
  • 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 V010-4008 available by request