3105-0007 Screening compound: 2-{[4-cyano-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2-thiazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

3105-0007 Screening compound: 2-{[4-cyano-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2-thiazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
3105-0007 Screening compound: 2-{[4-cyano-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2-thiazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3105-0007
2-{[4-cyano-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2-thiazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

3105-0007

Molecular Formula

C14H10N6O2S5 (C14 H10 N6 O2 S5)

Compound Name

2-{[4-cyano-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2-thiazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[4-cyano-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-12-thiazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

N#Cc1c(SCC(Nc2nccs2)=O)snc1SCC(Nc1nccs1)=O

InChI

InChI=1S/C14H10N6O2S5/c15-5-8-11(25-6-9(21)18-13-16-1-3-23-13)20-27-12(8)26-7-10(22)19-14-17-2-4-24-14/h1-4H,6-7H2,(H,16,18,21)(H,17,19,22)

InChI Key

CUIPLPVSEYODCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01210971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-2.98

Polar Surface Area

94.630

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3105-0007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3105-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3105-0007?
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What is the minimum amount of 3105-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3105-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3105-0007
  • 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 3105-0007 available by request