C060-0099 Screening compound: ethyl 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-3-carboxylate

C060-0099 Screening compound: ethyl 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-3-carboxylate
C060-0099 Screening compound: ethyl 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0099
ethyl 1-[4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanoyl]piperidine-3-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

C060-0099

Molecular Formula

C22H30N4O5S (C22 H30 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(CCCNC(CN(C=Nc1c2c(C)c(C)s1)C2=O)=O)=O)=O

InChI

InChI=1S/C22H30N4O5S/c1-4-31-22(30)16-7-6-10-25(11-16)18(28)8-5-9-23-17(27)12-26-13-24-20-19(21(26)29)14(2)15(3)32-20/h13,16H,4-12H2,1-3H3,(H,23,27)/t16-/m0/s1

InChI Key

GJWKWKSCJBYKPC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14714230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.900

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-1.80

Polar Surface Area

87.634

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

C060-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C060-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0099?
Check Price and Availability of C060-0099, 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 C060-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0099
  • 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 C060-0099 available by request