C241-1312 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

C241-1312 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
C241-1312 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1312
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

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

C241-1312

Molecular Formula

C26H21N5O6S (C26 H21 N5 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[24-dioxo-1-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]propanamide

SMILES

O=C(CCN(C(c(scc1)c1N1CC(N=C2N3C=CC=C2)=CC3=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H21N5O6S/c32-22(27-13-16-4-5-19-20(11-16)37-15-36-19)6-9-30-25(34)24-18(7-10-38-24)31(26(30)35)14-17-12-23(33)29-8-2-1-3-21(29)28-17/h1-5,7-8,10-12H,6,9,13-15H2,(H,27,32)

InChI Key

SFZGXASEEIRIEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.76

Polar Surface Area

99.837

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C241-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1312?
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What is the minimum amount of C241-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1312
  • 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 C241-1312 available by request