3302-0032 Screening compound: 3-allyl-1,3-benzoxazole-2(3H)-thione

3302-0032 Screening compound: 3-allyl-1,3-benzoxazole-2(3H)-thione
3302-0032 Screening compound: 3-allyl-1,3-benzoxazole-2(3H)-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3302-0032
3-allyl-1,3-benzoxazole-2(3H)-thione

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

3302-0032

Molecular Formula

C10H9NOS (C10 H9 NOS)

Compound Name

3-allyl-1,3-benzoxazole-2(3H)-thione

IUPAC name

3-(prop-2-en-1-yl)-23-dihydro-13-benzoxazole-2-thione

SMILES

C=CCN(c(cccc1)c1O1)C1=S

InChI

InChI=1S/C10H9NOS/c1-2-7-11-8-5-3-4-6-9(8)12-10(11)13/h2-6H,1,7H2

InChI Key

DLTSIUGBACGPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01006256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.19

Polar Surface Area

10.125

Acid Dissociation Constant (pKa)

32.77

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3302-0032 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 3302-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3302-0032?
Check Price and Availability of 3302-0032, 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 3302-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3302-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3302-0032
  • 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 3302-0032 available by request