3578-0898 Screening compound: propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate

3578-0898 Screening compound: propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
3578-0898 Screening compound: propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3578-0898
propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)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

3578-0898

Molecular Formula

C12H14N2O2S (C12 H14 N2 O2 S)

Compound Name

propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate

IUPAC name

propan-2-yl 2-(1H-13-benzodiazol-2-ylsulfanyl)acetate

SMILES

CC(C)OC(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C12H14N2O2S/c1-8(2)16-11(15)7-17-12-13-9-5-3-4-6-10(9)14-12/h3-6,8H,7H2,1-2H3,(H,13,14)

InChI Key

HIFJWDBUUBMUAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01428793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.58

Polar Surface Area

38.089

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3578-0898 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3578-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3578-0898?
Check Price and Availability of 3578-0898, 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 3578-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3578-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3578-0898
  • 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 3578-0898 available by request