C241-1619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1619 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1619
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

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

C241-1619

Molecular Formula

C27H28N4O7S (C27 H28 N4 O7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(NCc2ccco2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H28N4O7S/c32-23(28-14-18-7-8-21-22(13-18)38-17-37-21)6-2-1-3-10-30-26(34)25-20(9-12-39-25)31(27(30)35)16-24(33)29-15-19-5-4-11-36-19/h4-5,7-9,11-13H,1-3,6,10,14-17H2,(H,28,32)(H,29,33)

InChI Key

GXRJKSLPQFEYSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.40

Polar Surface Area

106.071

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C241-1619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1619?
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What is the minimum amount of C241-1619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1619
  • 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 C241-1619 available by request