5552-0773 Screening compound: 2-{2,6-dibromo-4-[(3-isopropyl-2,4-dioxo-1,3-thiazolan-5-yliden)methyl]phenoxy}acetic acid

5552-0773 Screening compound: 2-{2,6-dibromo-4-[(3-isopropyl-2,4-dioxo-1,3-thiazolan-5-yliden)methyl]phenoxy}acetic acid
5552-0773 Screening compound: 2-{2,6-dibromo-4-[(3-isopropyl-2,4-dioxo-1,3-thiazolan-5-yliden)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5552-0773
2-{2,6-dibromo-4-[(3-isopropyl-2,4-dioxo-1,3-thiazolan-5-yliden)methyl]phenoxy}acetic acid

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

5552-0773

Molecular Formula

C15H13Br2NO5S (C15 H13 Br2 NO5 S)

Compound Name

2-{2,6-dibromo-4-[(3-isopropyl-2,4-dioxo-1,3-thiazolan-5-yliden)methyl]phenoxy}acetic acid

IUPAC name

2-(26-dibromo-4-{[(5E)-24-dioxo-3-(propan-2-yl)-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

CC(C)N(C(/C(/S1)=C\c(cc2Br)cc(Br)c2OCC(O)=O)=O)C1=O

InChI

InChI=1S/C15H13Br2NO5S/c1-7(2)18-14(21)11(24-15(18)22)5-8-3-9(16)13(10(17)4-8)23-6-12(19)20/h3-5,7H,6H2,1-2H3,(H,19,20)

InChI Key

UNJORIFKJZOSAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03273033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

-0.216

Water Solubility, LogSw

-4.07

Polar Surface Area

65.644

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

5552-0773 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 5552-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5552-0773?
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What is the minimum amount of 5552-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5552-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5552-0773
  • 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 5552-0773 available by request