C241-1599 Screening compound: 6-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylhexanamide

C241-1599 Screening compound: 6-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylhexanamide
C241-1599 Screening compound: 6-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1599
6-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylhexanamide

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

C241-1599

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

6-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylhexanamide

IUPAC name

6-(1-{[(butan-2-yl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-phenylhexanamide

SMILES

CCC(C)NC(CN(c1c(C(N2CCCCCC(Nc3ccccc3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C24H30N4O4S/c1-3-17(2)25-21(30)16-28-19-13-15-33-22(19)23(31)27(24(28)32)14-9-5-8-12-20(29)26-18-10-6-4-7-11-18/h4,6-7,10-11,13,15,17H,3,5,8-9,12,14,16H2,1-2H3,(H,25,30)(H,26,29)/t17-/m0/s1

InChI Key

JWRVIRQLMPMFEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14734586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.51

Polar Surface Area

79.597

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C241-1599 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C241-1599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1599?
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What is the minimum amount of C241-1599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1599
  • 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 C241-1599 available by request