3775-0127 Screening compound: 2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate

3775-0127 Screening compound: 2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate
3775-0127 Screening compound: 2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3775-0127
2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate

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

3775-0127

Molecular Formula

C23H24N2O9S4 (C23 H24 N2 O9 S4)

Compound Name

2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate

IUPAC name

2-(7-{[1-carboxylato-3-(methylsulfanyl)propyl]sulfamoyl}-9-oxo-9H-fluorene-2-sulfonamido)-4-(methylsulfanyl)butanoate

SMILES

CSCCC(C([O-])=O)NS(c(cc1)cc2c1-c(ccc(S(NC(CCSC)C([O-])=O)(=O)=O)c1)c1C2=O)(=O)=O

InChI

InChI=1S/C23H26N2O9S4/c1-35-9-7-19(22(27)28)24-37(31,32)13-3-5-15-16-6-4-14(12-18(16)21(26)17(15)11-13)38(33,34)25-20(23(29)30)8-10-36-2/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,27,28)(H,29,30)/p-2

InChI Key

KRCGEPCCYIGZNQ-UHFFFAOYSA-L

MDL Number (MFCD)

MFCD02928460

Chemical and Physical Properties

Saltdata

2K+

Molecular Weight

600.72

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.275

Distribution Coefficient, logD

1.275

Water Solubility, LogSw

-2.40

Polar Surface Area

153.964

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-6.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3775-0127 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3775-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3775-0127?
Check Price and Availability of 3775-0127, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3775-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3775-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3775-0127
  • 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 3775-0127 available by request