K305-0498 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide

K305-0498 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide
K305-0498 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0498
2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide

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

K305-0498

Molecular Formula

C25H21ClN4O4S (C25 H21 ClN4 O4 S)

Compound Name

2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-chlorophenyl)acetamide

IUPAC name

2-{11-acetyl-35-dioxo-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl}-N-(4-chlorophenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(N1CC(Nc(cc3)ccc3Cl)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C25H21ClN4O4S/c1-15(31)28-12-11-19-20(13-28)35-24-22(19)23(33)30(18-5-3-2-4-6-18)25(34)29(24)14-21(32)27-17-9-7-16(26)8-10-17/h2-10H,11-14H2,1H3,(H,27,32)

InChI Key

WJQLJXRFGSGZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-4.36

Polar Surface Area

71.306

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0498 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K305-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0498?
Check Price and Availability of K305-0498, 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 K305-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0498
  • 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 K305-0498 available by request