3455-1444 Screening compound: 3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

3455-1444 Screening compound: 3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
3455-1444 Screening compound: 3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-1444
3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

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

3455-1444

Molecular Formula

C19H20BrNO2 (C19 H20 BrNO2)

Compound Name

3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

IUPAC name

3-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

SMILES

O=C(c1cccc(Br)c1)NCC1(CCOCC1)c1ccccc1

InChI

InChI=1S/C19H20BrNO2/c20-17-8-4-5-15(13-17)18(22)21-14-19(9-11-23-12-10-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,22)

InChI Key

XRXAASSYMQTPTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02030194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.45

Polar Surface Area

32.481

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3455-1444 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3455-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-1444?
Check Price and Availability of 3455-1444, 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 3455-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-1444
  • 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 3455-1444 available by request