K305-0385 Screening compound: N,N-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0385 Screening compound: N,N-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0385 Screening compound: N,N-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0385
N,N-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H,2H,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

K305-0385

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

N,N-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

NN-diethyl-1-[(5-formyl-2-methoxyphenyl)methyl]-5-methyl-24-dioxo-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(c1c(C)c(C(N(c2ccccc2)C(N2Cc(cc(C=O)cc3)c3OC)=O)=O)c2s1)=O

InChI

InChI=1S/C27H27N3O5S/c1-5-28(6-2)25(33)23-17(3)22-24(32)30(20-10-8-7-9-11-20)27(34)29(26(22)36-23)15-19-14-18(16-31)12-13-21(19)35-4/h7-14,16H,5-6,15H2,1-4H3

InChI Key

VMOKQKXVVICBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.77

Polar Surface Area

68.829

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K305-0385 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K305-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0385?
Check Price and Availability of K305-0385, 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 K305-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0385
  • 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 K305-0385 available by request