C241-2023 Screening compound: 6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]hexanamide

C241-2023 Screening compound: 6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]hexanamide
C241-2023 Screening compound: 6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2023
6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]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

C241-2023

Molecular Formula

C29H33N3O3S (C29 H33 N3 O3 S)

Compound Name

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

IUPAC name

6-{1-[(25-dimethylphenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]hexanamide

SMILES

Cc1ccc(CNC(CCCCCN(C(c(scc2)c2N2Cc3c(C)ccc(C)c3)=O)C2=O)=O)cc1

InChI

InChI=1S/C29H33N3O3S/c1-20-9-12-23(13-10-20)18-30-26(33)7-5-4-6-15-31-28(34)27-25(14-16-36-27)32(29(31)35)19-24-17-21(2)8-11-22(24)3/h8-14,16-17H,4-7,15,18-19H2,1-3H3,(H,30,33)

InChI Key

FXGUHGWXSISNKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.037

Distribution Coefficient, logD

6.037

Water Solubility, LogSw

-5.19

Polar Surface Area

56.735

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with C241-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2023?
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What is the minimum amount of C241-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2023
  • 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 C241-2023 available by request