C241-1741 Screening compound: 2-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

C241-1741 Screening compound: 2-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
C241-1741 Screening compound: 2-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1741
2-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)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

C241-1741

Molecular Formula

C26H23N5O4S (C26 H23 N5 O4 S)

Compound Name

2-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

IUPAC name

2-[1-({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

SMILES

CC(N12)=CC=CC2=NC(CN(c2c(C(N3CC(NCCc4ccccc4)=O)=O)scc2)C3=O)=CC1=O

InChI

InChI=1S/C26H23N5O4S/c1-17-6-5-9-21-28-19(14-23(33)31(17)21)15-29-20-11-13-36-24(20)25(34)30(26(29)35)16-22(32)27-12-10-18-7-3-2-4-8-18/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,27,32)

InChI Key

PRDHNJREHCLXEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.51

Polar Surface Area

82.249

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C241-1741 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C241-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1741?
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What is the minimum amount of C241-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1741
  • 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 C241-1741 available by request