K305-0525 Screening compound: 2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

K305-0525 Screening compound: 2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide
K305-0525 Screening compound: 2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0525
2-[7-acetyl-3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)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

K305-0525

Molecular Formula

C26H30N4O7S (C26 H30 N4 O7 S)

Compound Name

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

IUPAC name

2-[11-acetyl-4-(34-dimethoxyphenyl)-35-dioxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c(cc1)cc(OC)c1OC)C(N1CC(NCC3OCCC3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C26H30N4O7S/c1-15(31)28-9-8-18-21(13-28)38-25-23(18)24(33)30(16-6-7-19(35-2)20(11-16)36-3)26(34)29(25)14-22(32)27-12-17-5-4-10-37-17/h6-7,11,17H,4-5,8-10,12-14H2,1-3H3,(H,27,32)/t17-/m1/s1

InChI Key

CIAIWMDYDRGAPI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15093037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.638

Distribution Coefficient, logD

0.638

Water Solubility, LogSw

-2.25

Polar Surface Area

96.543

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K305-0525 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K305-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0525?
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What is the minimum amount of K305-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0525
  • 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 K305-0525 available by request