K936-0077 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxylate

K936-0077 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxylate
K936-0077 Screening compound: ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0077
ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-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

K936-0077

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{5-methyl-4-oxo-3-[(propylcarbamoyl)methyl]-3H4H-thieno[23-d]pyrimidine-6-carbonyl}piperidine-4-carboxylate

SMILES

CCCNC(CN(C=Nc1c2c(C)c(C(N(CC3)CCC3C(OCC)=O)=O)s1)C2=O)=O

InChI

InChI=1S/C21H28N4O5S/c1-4-8-22-15(26)11-25-12-23-18-16(19(25)27)13(3)17(31-18)20(28)24-9-6-14(7-10-24)21(29)30-5-2/h12,14H,4-11H2,1-3H3,(H,22,26)

InChI Key

KOVFWUDCHMECKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-1.91

Polar Surface Area

88.228

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with K936-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0077?
Check Price and Availability of K936-0077, 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 K936-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0077
  • 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 K936-0077 available by request