4408-0618 Screening compound: 1-(4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethan-1-one

4408-0618 Screening compound: 1-(4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethan-1-one
4408-0618 Screening compound: 1-(4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0618
1-(4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethan-1-one

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

4408-0618

Molecular Formula

C16H13ClN2OS2 (C16 H13 ClN2 OS2)

Compound Name

1-(4-chlorophenyl)-2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-({56-dimethylthieno[23-d]pyrimidin-4-yl}sulfanyl)ethan-1-one

SMILES

Cc1c(C)sc2c1c(SCC(c(cc1)ccc1Cl)=O)ncn2

InChI

InChI=1S/C16H13ClN2OS2/c1-9-10(2)22-16-14(9)15(18-8-19-16)21-7-13(20)11-3-5-12(17)6-4-11/h3-6,8H,7H2,1-2H3

InChI Key

MFWHGWMODPHPMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02587685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.96

Polar Surface Area

34.260

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4408-0618 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4408-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0618?
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What is the minimum amount of 4408-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0618
  • 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 4408-0618 available by request