C060-0085 Screening compound: 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide

C060-0085 Screening compound: 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide
C060-0085 Screening compound: 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0085
1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide

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

C060-0085

Molecular Formula

C20H27N5O4S (C20 H27 N5 O4 S)

Compound Name

1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide

IUPAC name

1-[4-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-4-carboxamide

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(N(CC3)CCC3C(N)=O)=O)=O)c1C2=O

InChI

InChI=1S/C20H27N5O4S/c1-12-13(2)30-19-17(12)20(29)25(11-23-19)10-15(26)22-7-3-4-16(27)24-8-5-14(6-9-24)18(21)28/h11,14H,3-10H2,1-2H3,(H2,21,28)(H,22,26)

InChI Key

GJQDBDUAUVMLIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.700

Distribution Coefficient, logD

-0.700

Water Solubility, LogSw

-1.32

Polar Surface Area

101.006

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

C060-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C060-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0085?
Check Price and Availability of C060-0085, 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 C060-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0085
  • 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 C060-0085 available by request