8019-1500 Screening compound: methyl 3,3,3-trifluoro-2-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate

8019-1500 Screening compound: methyl 3,3,3-trifluoro-2-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
8019-1500 Screening compound: methyl 3,3,3-trifluoro-2-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1500
methyl 3,3,3-trifluoro-2-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate

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

8019-1500

Molecular Formula

C13H13F3N2O4S (C13 H13 F3 N2 O4 S)

Compound Name

methyl 3,3,3-trifluoro-2-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate

IUPAC name

methyl 333-trifluoro-2-methoxy-2-[(6-methoxy-13-benzothiazol-2-yl)amino]propanoate

SMILES

COC(C(F)(F)F)(C(OC)=O)Nc1nc(ccc(OC)c2)c2s1

InChI

InChI=1S/C13H13F3N2O4S/c1-20-7-4-5-8-9(6-7)23-11(17-8)18-12(22-3,10(19)21-2)13(14,15)16/h4-6H,1-3H3,(H,17,18)/t12-/m1/s1

InChI Key

ZABXHLJORLQINY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09064174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.12

Polar Surface Area

56.397

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8019-1500 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1500?
Check Price and Availability of 8019-1500, 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 8019-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1500
  • 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 8019-1500 available by request