2084-9945 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

2084-9945 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
2084-9945 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2084-9945
(4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-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

2084-9945

Molecular Formula

C20H13BrN2O2 (C20 H13 BrN2 O2)

Compound Name

(4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-bromophenyl)-4-{[(naphthalen-2-yl)amino]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c(cc2)ccc2Br)=N/C1=C\Nc1cc2ccccc2cc1

InChI

InChI=1S/C20H13BrN2O2/c21-16-8-5-14(6-9-16)19-23-18(20(24)25-19)12-22-17-10-7-13-3-1-2-4-15(13)11-17/h1-12,22H

InChI Key

QKQKIVBANVUTGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-5.56

Polar Surface Area

41.705

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2084-9945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2084-9945?
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What is the minimum amount of 2084-9945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2084-9945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2084-9945
  • 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 2084-9945 available by request