C172-0569 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-pentylhexanamide

C172-0569 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-pentylhexanamide
C172-0569 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-pentylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0569
6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-pentylhexanamide

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

C172-0569

Molecular Formula

C17H25N3O3S (C17 H25 N3 O3 S)

Compound Name

6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-pentylhexanamide

IUPAC name

6-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-pentylhexanamide

SMILES

CCCCCNC(CCCCCN(C(c(scc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C17H25N3O3S/c1-2-3-6-10-18-14(21)8-5-4-7-11-20-16(22)15-13(9-12-24-15)19-17(20)23/h9,12H,2-8,10-11H2,1H3,(H,18,21)(H,19,23)

InChI Key

RBRSTNOOUVGZNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.06

Polar Surface Area

66.062

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

C172-0569 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C172-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0569?
Check Price and Availability of C172-0569, 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 C172-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0569
  • 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 C172-0569 available by request