V002-4768 Screening compound: 3-propyl-7-(tetrahydro-3-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

V002-4768 Screening compound: 3-propyl-7-(tetrahydro-3-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
V002-4768 Screening compound: 3-propyl-7-(tetrahydro-3-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4768
3-propyl-7-(tetrahydro-3-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

V002-4768

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

3-propyl-7-(tetrahydro-3-furanylcarbonyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-(oxolane-3-carbonyl)-4-propyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CCCN(C(c1c(N2)sc(C3)c1CCN3C(C1COCC1)=O)=O)C2=O

InChI

InChI=1S/C17H21N3O4S/c1-2-5-20-16(22)13-11-3-6-19(15(21)10-4-7-24-9-10)8-12(11)25-14(13)18-17(20)23/h10H,2-9H2,1H3,(H,18,23)/t10-/m0/s1

InChI Key

KHQRLONDHJPHGM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD19980118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.336

Water Solubility, LogSw

-2.38

Polar Surface Area

65.907

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

V002-4768 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-4768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4768?
Check Price and Availability of V002-4768, 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 V002-4768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4768
  • 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 V002-4768 available by request