K936-0080 Screening compound: 2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide

K936-0080 Screening compound: 2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide
K936-0080 Screening compound: 2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0080
2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide

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

K936-0080

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide

IUPAC name

2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)-3H4H-thieno[23-d]pyrimidin-3-yl]-N-propylacetamide

SMILES

CCCNC(CN(C=Nc1c2c(C)c(C(N3CCCC3)=O)s1)C2=O)=O

InChI

InChI=1S/C17H22N4O3S/c1-3-6-18-12(22)9-21-10-19-15-13(16(21)23)11(2)14(25-15)17(24)20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H,18,22)

InChI Key

XPCKSCSSXVKWRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.944

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-1.85

Polar Surface Area

67.840

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

K936-0080 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K936-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0080?
Check Price and Availability of K936-0080, 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 K936-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0080
  • 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 K936-0080 available by request