FF01-1892 Screening compound: 2-(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid

FF01-1892 Screening compound: 2-(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid
FF01-1892 Screening compound: 2-(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-1892
2-(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid

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

FF01-1892

Molecular Formula

C11H11NO5S (C11 H11 NO5 S)

Compound Name

2-(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid

IUPAC name

2-(114-trioxo-2345-tetrahydro-1lambda65-benzothiazepin-3-yl)acetic acid

SMILES

OC(CC(CS(c(cccc1)c1N1)(=O)=O)C1=O)=O

InChI

InChI=1S/C11H11NO5S/c13-10(14)5-7-6-18(16,17)9-4-2-1-3-8(9)12-11(7)15/h1-4,7H,5-6H2,(H,12,15)(H,13,14)/t7-/m0/s1

InChI Key

MXELSJPFZXQRJS-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD14281512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.128

Distribution Coefficient, logD

-4.047

Water Solubility, LogSw

-1.80

Polar Surface Area

82.357

Acid Dissociation Constant (pKa)

4.48

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

FF01-1892 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with FF01-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-1892?
Check Price and Availability of FF01-1892, 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 FF01-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-1892
  • 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 FF01-1892 available by request