0331-0300 Screening compound: 6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

0331-0300 Screening compound: 6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-2,3-dihydro-1,3-benzoxazol-2-one
0331-0300 Screening compound: 6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0331-0300
6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

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

0331-0300

Molecular Formula

C15H19BrN2O2 (C15 H19 BrN2 O2)

Compound Name

6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-bromo-3-{[cyclohexyl(methyl)amino]methyl}-23-dihydro-13-benzoxazol-2-one

SMILES

CN(CN(c(ccc(Br)c1)c1O1)C1=O)C1CCCCC1

InChI

InChI=1S/C15H19BrN2O2/c1-17(12-5-3-2-4-6-12)10-18-13-8-7-11(16)9-14(13)20-15(18)19/h7-9,12H,2-6,10H2,1H3

InChI Key

XVYCNNGDPAQWGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00422015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-4.20

Polar Surface Area

27.548

Acid Dissociation Constant (pKa)

27.82

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

0331-0300 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0331-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0331-0300?
Check Price and Availability of 0331-0300, 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 0331-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0331-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0331-0300
  • 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 0331-0300 available by request