K076-0690 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0690 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0690 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0690
(4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)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

K076-0690

Molecular Formula

C18H11BrN2O2 (C18 H11 BrN2 O2)

Compound Name

(4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-bromophenyl)-4-[(1H-indol-3-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c(cc2)ccc2Br)=N/C1=C\c1c[nH]c2c1cccc2

InChI

InChI=1S/C18H11BrN2O2/c19-13-7-5-11(6-8-13)17-21-16(18(22)23-17)9-12-10-20-15-4-2-1-3-14(12)15/h1-10,20H

InChI Key

MIEJFNFJSJBXEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.60

Polar Surface Area

40.246

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K076-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0690?
Check Price and Availability of K076-0690, 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 K076-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0690
  • 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 K076-0690 available by request