8012-8893 Screening compound: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate

8012-8893 Screening compound: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate
8012-8893 Screening compound: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8893
ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate

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

8012-8893

Molecular Formula

C12H11F3N2O3S (C12 H11 F3 N2 O3 S)

Compound Name

ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

ethyl 2-(2-amino-13-benzothiazol-6-yl)-333-trifluoro-2-hydroxypropanoate

SMILES

CCOC(C(C(F)(F)F)(c(cc1)cc2c1nc(N)s2)O)=O

InChI

InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)/t11-/m1/s1

InChI Key

RXFFHJBWYLTWML-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03134034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.85

Polar Surface Area

66.579

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8012-8893 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-8893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8893?
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What is the minimum amount of 8012-8893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8893
  • 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 8012-8893 available by request