K305-0457 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(4-vinylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0457 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(4-vinylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0457 Screening compound: 7-acetyl-3-(2-chlorophenyl)-1-(4-vinylbenzyl)-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 K305-0457
7-acetyl-3-(2-chlorophenyl)-1-(4-vinylbenzyl)-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

K305-0457

Molecular Formula

C26H22ClN3O3S (C26 H22 ClN3 O3 S)

Compound Name

7-acetyl-3-(2-chlorophenyl)-1-(4-vinylbenzyl)-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-[(4-ethenylphenyl)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(N1Cc3ccc(C=C)cc3)=O)=O)c1s2)=O

InChI

InChI=1S/C26H22ClN3O3S/c1-3-17-8-10-18(11-9-17)14-29-25-23(19-12-13-28(16(2)31)15-22(19)34-25)24(32)30(26(29)33)21-7-5-4-6-20(21)27/h3-11H,1,12-15H2,2H3

InChI Key

PJDJLISLUKIOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.742

Distribution Coefficient, logD

4.742

Water Solubility, LogSw

-5.03

Polar Surface Area

47.856

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K305-0457 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 K305-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0457?
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What is the minimum amount of K305-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0457
  • 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 K305-0457 available by request