8430-1515 Screening compound: 1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

8430-1515 Screening compound: 1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
8430-1515 Screening compound: 1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8430-1515
1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-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

8430-1515

Molecular Formula

C17H12BrN3O5S (C17 H12 BrN3 O5 S)

Compound Name

1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(2-bromo-5-nitrophenyl)-2-{[5-(phenoxymethyl)-134-oxadiazol-2-yl]sulfanyl}ethan-1-one

SMILES

[O-][N+](c(cc1)cc(C(CSc2nnc(COc3ccccc3)o2)=O)c1Br)=O

InChI

InChI=1S/C17H12BrN3O5S/c18-14-7-6-11(21(23)24)8-13(14)15(22)10-27-17-20-19-16(26-17)9-25-12-4-2-1-3-5-12/h1-8H,9-10H2

InChI Key

XGBXFXIGGJEYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.96

Polar Surface Area

83.857

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8430-1515 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8430-1515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8430-1515?
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What is the minimum amount of 8430-1515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8430-1515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8430-1515
  • 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 8430-1515 available by request