K305-0495 Screening compound: methyl 2-({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]acetyl}amino)benzoate

K305-0495 Screening compound: methyl 2-({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]acetyl}amino)benzoate
K305-0495 Screening compound: methyl 2-({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]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0495
methyl 2-({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]acetyl}amino)benzoate

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

K305-0495

Molecular Formula

C27H24N4O6S (C27 H24 N4 O6 S)

Compound Name

methyl 2-({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]acetyl}amino)benzoate

IUPAC name

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

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(N1CC(Nc(cccc3)c3C(OC)=O)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C27H24N4O6S/c1-16(32)29-13-12-19-21(14-29)38-25-23(19)24(34)31(17-8-4-3-5-9-17)27(36)30(25)15-22(33)28-20-11-7-6-10-18(20)26(35)37-2/h3-11H,12-15H2,1-2H3,(H,28,33)

InChI Key

DMFXWNLHBCWSDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-3.09

Polar Surface Area

91.782

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K305-0495 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 K305-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0495?
Check Price and Availability of K305-0495, 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 K305-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0495
  • 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 K305-0495 available by request