2113-0008 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(5-bromopyridin-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

2113-0008 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(5-bromopyridin-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
2113-0008 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(5-bromopyridin-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2113-0008
(4Z)-2-(4-bromophenyl)-4-{[(5-bromopyridin-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

2113-0008

Molecular Formula

C15H9Br2N3O2 (C15 H9 Br2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1OC(c(cc2)ccc2Br)=N/C1=C\Nc(cc1)ncc1Br

InChI

InChI=1S/C15H9Br2N3O2/c16-10-3-1-9(2-4-10)14-20-12(15(21)22-14)8-19-13-6-5-11(17)7-18-13/h1-8H,(H,18,19)

InChI Key

ZLBLRUCWINOUFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.42

Polar Surface Area

51.681

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2113-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2113-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2113-0008?
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What is the minimum amount of 2113-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2113-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2113-0008
  • 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 2113-0008 available by request