8016-9637 Screening compound: methyl 4-oxo-4-[(9-oxo-9H-fluoren-2-yl)amino]butanoate

8016-9637 Screening compound: methyl 4-oxo-4-[(9-oxo-9H-fluoren-2-yl)amino]butanoate
8016-9637 Screening compound: methyl 4-oxo-4-[(9-oxo-9H-fluoren-2-yl)amino]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9637
methyl 4-oxo-4-[(9-oxo-9H-fluoren-2-yl)amino]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

8016-9637

Molecular Formula

C18H15NO4 (C18 H15 NO4)

Compound Name

methyl 4-oxo-4-[(9-oxo-9H-fluoren-2-yl)amino]butanoate

IUPAC name

methyl 3-[(9-oxo-9H-fluoren-2-yl)carbamoyl]propanoate

SMILES

COC(CCC(Nc(cc1)cc2c1-c(cccc1)c1C2=O)=O)=O

InChI

InChI=1S/C18H15NO4/c1-23-17(21)9-8-16(20)19-11-6-7-13-12-4-2-3-5-14(12)18(22)15(13)10-11/h2-7,10H,8-9H2,1H3,(H,19,20)

InChI Key

MSJWDBJDTUHEGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.30

Polar Surface Area

57.128

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8016-9637 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-9637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9637?
Check Price and Availability of 8016-9637, 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 8016-9637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9637
  • 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 8016-9637 available by request