K305-0510 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(3-methoxybenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0510 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(3-methoxybenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0510 Screening compound: 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(3-methoxybenzyl)-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 K305-0510
7-acetyl-3-(3-chloro-2-methylphenyl)-1-(3-methoxybenzyl)-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

K305-0510

Molecular Formula

C26H24ClN3O4S (C26 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)Cc2c1c(C(N(c1cccc(Cl)c1C)C(N1Cc3cc(OC)ccc3)=O)=O)c1s2)=O

InChI

InChI=1S/C26H24ClN3O4S/c1-15-20(27)8-5-9-21(15)30-24(32)23-19-10-11-28(16(2)31)14-22(19)35-25(23)29(26(30)33)13-17-6-4-7-18(12-17)34-3/h4-9,12H,10-11,13-14H2,1-3H3

InChI Key

XMNRTCXTIQHDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-5.11

Polar Surface Area

55.399

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K305-0510 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K305-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0510?
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What is the minimum amount of K305-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0510
  • 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 K305-0510 available by request