1502-0790 Screening compound: 3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-thione

1502-0790 Screening compound: 3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-thione
1502-0790 Screening compound: 3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-0790
3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-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

1502-0790

Molecular Formula

C12H16N2OS (C12 H16 N2 OS)

Compound Name

3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-thione

IUPAC name

3-[(diethylamino)methyl]-23-dihydro-13-benzoxazole-2-thione

SMILES

CCN(CC)CN(c(cccc1)c1O1)C1=S

InChI

InChI=1S/C12H16N2OS/c1-3-13(4-2)9-14-10-7-5-6-8-11(10)15-12(14)16/h5-8H,3-4,9H2,1-2H3

InChI Key

WNTGMQRKGLCSML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00185918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

0.822

Water Solubility, LogSw

-3.31

Polar Surface Area

15.001

Acid Dissociation Constant (pKa)

29.95

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

References: we are preparing a list of scientific research reports with 1502-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-0790?
Check Price and Availability of 1502-0790, 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 1502-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-0790
  • 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 1502-0790 available by request