K305-0227 Screening compound: 3-(3,4-dichlorophenyl)-N,N-diethyl-1-[(2-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0227 Screening compound: 3-(3,4-dichlorophenyl)-N,N-diethyl-1-[(2-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0227 Screening compound: 3-(3,4-dichlorophenyl)-N,N-diethyl-1-[(2-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0227
3-(3,4-dichlorophenyl)-N,N-diethyl-1-[(2-fluorophenyl)methyl]-5-methyl-2,4-dioxo-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

K305-0227

Molecular Formula

C25H22Cl2FN3O3S (C25 H22 Cl2 FN3 O3 S)

Compound Name

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

IUPAC name

3-(34-dichlorophenyl)-NN-diethyl-1-[(2-fluorophenyl)methyl]-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(c1c(C)c(C(N(c(cc2)cc(Cl)c2Cl)C(N2Cc(cccc3)c3F)=O)=O)c2s1)=O

InChI

InChI=1S/C25H22Cl2FN3O3S/c1-4-29(5-2)23(33)21-14(3)20-22(32)31(16-10-11-17(26)18(27)12-16)25(34)30(24(20)35-21)13-15-8-6-7-9-19(15)28/h6-12H,4-5,13H2,1-3H3

InChI Key

HVEWKSBTVHDFEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-6.12

Polar Surface Area

47.039

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K305-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0227?
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What is the minimum amount of K305-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0227
  • 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 K305-0227 available by request