4152-0218 Screening compound: 1-ethyl-3-methyl-2,1-benzoxazol-1-ium

4152-0218 Screening compound: 1-ethyl-3-methyl-2,1-benzoxazol-1-ium
4152-0218 Screening compound: 1-ethyl-3-methyl-2,1-benzoxazol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4152-0218
1-ethyl-3-methyl-2,1-benzoxazol-1-ium

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

4152-0218

Molecular Formula

C10H12NO (C10 H12 NO)

Compound Name

1-ethyl-3-methyl-2,1-benzoxazol-1-ium

IUPAC name

1-ethyl-3-methyl-21-benzoxazol-1-ium

SMILES

CC[n+]1c(cccc2)c2c(C)o1

InChI

InChI=1S/C10H12NO/c1-3-11-10-7-5-4-6-9(10)8(2)12-11/h4-7H,3H2,1-2H3/q+1

InChI Key

OJAUCQCPVQNGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932348

Chemical and Physical Properties

Saltdata

BF4-

Molecular Weight

162.21

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.30

Polar Surface Area

10.195

Acid Dissociation Constant (pKa)

29.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4152-0218 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4152-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4152-0218?
Check Price and Availability of 4152-0218, 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 4152-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4152-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4152-0218
  • 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 4152-0218 available by request