C241-2094 Screening compound: N-benzyl-4-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

C241-2094 Screening compound: N-benzyl-4-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide
C241-2094 Screening compound: N-benzyl-4-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2094
N-benzyl-4-[2,4-dioxo-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

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

C241-2094

Molecular Formula

C26H23N5O4S (C26 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c(scc1)c1N1CC(N=C2N3C=CC=C2)=CC3=O)=O)C1=O)NCc1ccccc1

InChI

InChI=1S/C26H23N5O4S/c32-22(27-16-18-7-2-1-3-8-18)10-6-13-30-25(34)24-20(11-14-36-24)31(26(30)35)17-19-15-23(33)29-12-5-4-9-21(29)28-19/h1-5,7-9,11-12,14-15H,6,10,13,16-17H2,(H,27,32)

InChI Key

HPLOYCSMYVDPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734876

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

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.826

Distribution Coefficient, logD

1.826

Water Solubility, LogSw

-2.39

Polar Surface Area

82.722

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C241-2094 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 C241-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2094?
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What is the minimum amount of C241-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2094
  • 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 C241-2094 available by request