C241-1616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1616 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1616
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(3,3-dimethyl-2-oxobutyl)-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

C241-1616

Molecular Formula

C26H31N3O6S (C26 H31 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-(3,3-dimethyl-2-oxobutyl)-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-(33-dimethyl-2-oxobutyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]hexanamide

SMILES

CC(C)(C)C(CN(c1c(C(N2CCCCCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C26H31N3O6S/c1-26(2,3)21(30)15-29-18-10-12-36-23(18)24(32)28(25(29)33)11-6-4-5-7-22(31)27-14-17-8-9-19-20(13-17)35-16-34-19/h8-10,12-13H,4-7,11,14-16H2,1-3H3,(H,27,31)

InChI Key

GQFAZVODAQPZDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-3.97

Polar Surface Area

87.369

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C241-1616 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C241-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1616?
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What is the minimum amount of C241-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1616
  • 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 C241-1616 available by request