C172-0392 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide

C172-0392 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide
C172-0392 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0392
6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide

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

C172-0392

Molecular Formula

C20H31N3O3S (C20 H31 N3 O3 S)

Compound Name

6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide

IUPAC name

6-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-(2-ethylhexyl)hexanamide

SMILES

CCCCC(CC)CNC(CCCCCN(C(c(scc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C20H31N3O3S/c1-3-5-9-15(4-2)14-21-17(24)10-7-6-8-12-23-19(25)18-16(11-13-27-18)22-20(23)26/h11,13,15H,3-10,12,14H2,1-2H3,(H,21,24)(H,22,26)/t15-/m0/s1

InChI Key

UDLHARYSDUVYAF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14723944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.11

Polar Surface Area

66.220

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

C172-0392 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C172-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0392?
Check Price and Availability of C172-0392, 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 C172-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0392
  • 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 C172-0392 available by request