3382-0653 Screening compound: 2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine

3382-0653 Screening compound: 2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine
3382-0653 Screening compound: 2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3382-0653
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine

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

3382-0653

Molecular Formula

C17H15BrN2O4S (C17 H15 BrN2 O4 S)

Compound Name

2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine

IUPAC name

2-(5-bromo-2-methoxyphenyl)-3-(4-nitrobenzoyl)-13-thiazolidine

SMILES

COc(cc1)c(C2SCCN2C(c(cc2)ccc2[N+]([O-])=O)=O)cc1Br

InChI

InChI=1S/C17H15BrN2O4S/c1-24-15-7-4-12(18)10-14(15)17-19(8-9-25-17)16(21)11-2-5-13(6-3-11)20(22)23/h2-7,10,17H,8-9H2,1H3/t17-/m0/s1

InChI Key

LXYSRYBOLNKRRN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02211871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.39

Polar Surface Area

57.689

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

-11.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

3382-0653 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3382-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3382-0653?
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What is the minimum amount of 3382-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3382-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3382-0653
  • 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 3382-0653 available by request