C241-1538 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1538 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1538 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1538
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-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

C241-1538

Molecular Formula

C27H32N4O7S (C27 H32 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(NCC2OCCC2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H32N4O7S/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/h7-9,12-13,19H,1-6,10-11,14-17H2,(H,28,32)(H,29,33)/t19-/m1/s1

InChI Key

KJGAOWPKHBVNPE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14734551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

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

1.919

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.72

Polar Surface Area

106.976

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C241-1538 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C241-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C241-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1538
  • 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 C241-1538 available by request