C241-1389 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

C241-1389 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide
C241-1389 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1389
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-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

C241-1389

Molecular Formula

C24H27N3O6S (C24 H27 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[1-(33-dimethyl-2-oxobutyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]butanamide

SMILES

CC(C)(C)C(CN(c1c(C(N2CCCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C24H27N3O6S/c1-24(2,3)19(28)13-27-16-8-10-34-21(16)22(30)26(23(27)31)9-4-5-20(29)25-12-15-6-7-17-18(11-15)33-14-32-17/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,25,29)

InChI Key

LBPHCDIBJDYFMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.791

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.48

Polar Surface Area

87.369

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C241-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C241-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1389
  • 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 C241-1389 available by request