K305-0454 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(2,5-dimethylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0454 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(2,5-dimethylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0454 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(2,5-dimethylbenzyl)-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 K305-0454
7-acetyl-3-(2-chlorophenyl)-1-(2,5-dimethylbenzyl)-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

K305-0454

Molecular Formula

C26H24ClN3O3S (C26 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

11-acetyl-4-(2-chlorophenyl)-6-[(25-dimethylphenyl)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(cccc1)c1Cl)C(N1Cc3c(C)ccc(C)c3)=O)=O)c1s2)=O

InChI

InChI=1S/C26H24ClN3O3S/c1-15-8-9-16(2)18(12-15)13-29-25-23(19-10-11-28(17(3)31)14-22(19)34-25)24(32)30(26(29)33)21-7-5-4-6-20(21)27/h4-9,12H,10-11,13-14H2,1-3H3

InChI Key

VEKGLUXAMIDCHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

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

5.194

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.79

Polar Surface Area

47.856

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K305-0454 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K305-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0454?
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What is the minimum amount of K305-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0454
  • 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 K305-0454 available by request