K305-0511 Screening compound: 7-acetyl-1-(2-chloro-4-fluorobenzyl)-3-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0511 Screening compound: 7-acetyl-1-(2-chloro-4-fluorobenzyl)-3-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0511 Screening compound: 7-acetyl-1-(2-chloro-4-fluorobenzyl)-3-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0511
7-acetyl-1-(2-chloro-4-fluorobenzyl)-3-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

K305-0511

Molecular Formula

C24H18Cl2FN3O3S (C24 H18 Cl2 FN3 O3 S)

Compound Name

7-acetyl-1-(2-chloro-4-fluorobenzyl)-3-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-acetyl-6-[(2-chloro-4-fluorophenyl)methyl]-4-(3-chlorophenyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(N(CC1)Cc2c1c(C(N(c1cc(Cl)ccc1)C(N1Cc(ccc(F)c3)c3Cl)=O)=O)c1s2)=O

InChI

InChI=1S/C24H18Cl2FN3O3S/c1-13(31)28-8-7-18-20(12-28)34-23-21(18)22(32)30(17-4-2-3-15(25)9-17)24(33)29(23)11-14-5-6-16(27)10-19(14)26/h2-6,9-10H,7-8,11-12H2,1H3

InChI Key

PZFJKUSIKIRBSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-5.07

Polar Surface Area

48.157

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K305-0511 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K305-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0511?
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What is the minimum amount of K305-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0511
  • 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 K305-0511 available by request