K305-0474 Screening compound: 7-acetyl-3-(2,4-dimethoxyphenyl)-1-(3-methoxybenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0474 Screening compound: 7-acetyl-3-(2,4-dimethoxyphenyl)-1-(3-methoxybenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0474 Screening compound: 7-acetyl-3-(2,4-dimethoxyphenyl)-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 K305-0474
7-acetyl-3-(2,4-dimethoxyphenyl)-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

K305-0474

Molecular Formula

C27H27N3O6S (C27 H27 N3 O6 S)

Compound Name

7-acetyl-3-(2,4-dimethoxyphenyl)-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-(24-dimethoxyphenyl)-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(c(ccc(OC)c1)c1OC)C(N1Cc3cc(OC)ccc3)=O)=O)c1s2)=O

InChI

InChI=1S/C27H27N3O6S/c1-16(31)28-11-10-20-23(15-28)37-26-24(20)25(32)30(21-9-8-19(35-3)13-22(21)36-4)27(33)29(26)14-17-6-5-7-18(12-17)34-2/h5-9,12-13H,10-11,14-15H2,1-4H3

InChI Key

SCORXKNZXURNEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.39

Polar Surface Area

70.574

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K305-0474 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K305-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0474?
Check Price and Availability of K305-0474, 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 K305-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0474
  • 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 K305-0474 available by request