8007-3603 Screening compound: tert-butyl 2-[(2-oxo-2H-1,3-benzoxathiol-5-yl)oxy]acetate

8007-3603 Screening compound: tert-butyl 2-[(2-oxo-2H-1,3-benzoxathiol-5-yl)oxy]acetate
8007-3603 Screening compound: tert-butyl 2-[(2-oxo-2H-1,3-benzoxathiol-5-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3603
tert-butyl 2-[(2-oxo-2H-1,3-benzoxathiol-5-yl)oxy]acetate

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

8007-3603

Molecular Formula

C13H14O5S (C13 H14 O5 S)

Compound Name

tert-butyl 2-[(2-oxo-2H-1,3-benzoxathiol-5-yl)oxy]acetate

IUPAC name

tert-butyl 2-[(2-oxo-2H-13-benzoxathiol-5-yl)oxy]acetate

SMILES

CC(C)(C)OC(COc(cc1)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C13H14O5S/c1-13(2,3)18-11(14)7-16-8-4-5-9-10(6-8)19-12(15)17-9/h4-6H,7H2,1-3H3

InChI Key

NTTOIFVDDWFCAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01058454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-2.89

Polar Surface Area

49.078

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8007-3603 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 8007-3603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3603?
Check Price and Availability of 8007-3603, 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 8007-3603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3603
  • 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 8007-3603 available by request