K936-0096 Screening compound: N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K936-0096 Screening compound: N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K936-0096 Screening compound: N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0096
N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-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

K936-0096

Molecular Formula

C19H28N4O3S (C19 H28 N4 O3 S)

Compound Name

N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-butyl-N-ethyl-5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCCN(CC)C(c1c(C)c(C(N(CC(NCCC)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C19H28N4O3S/c1-5-8-10-22(7-3)19(26)16-13(4)15-17(27-16)21-12-23(18(15)25)11-14(24)20-9-6-2/h12H,5-11H2,1-4H3,(H,20,24)

InChI Key

DGENWWZCDDSURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.39

Polar Surface Area

67.011

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

K936-0096 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K936-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0096?
Check Price and Availability of K936-0096, 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 K936-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0096
  • 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 K936-0096 available by request