4338-1145 Screening compound: (4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

4338-1145 Screening compound: (4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one
4338-1145 Screening compound: (4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1145
(4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-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

4338-1145

Molecular Formula

C11H7Br2NO3 (C11 H7 Br2 NO3)

Compound Name

(4Z)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-4-[(35-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CC(/C1=C/c(cc2Br)cc(Br)c2O)=NOC1=O

InChI

InChI=1S/C11H7Br2NO3/c1-5-7(11(16)17-14-5)2-6-3-8(12)10(15)9(13)4-6/h2-4,15H,1H3

InChI Key

CKSUGNREHXKPLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.64

Polar Surface Area

50.615

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4338-1145 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 4338-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-1145?
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What is the minimum amount of 4338-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1145
  • 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 4338-1145 available by request