7610-2167 Screening compound: methyl 2-[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate

7610-2167 Screening compound: methyl 2-[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate
7610-2167 Screening compound: methyl 2-[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-2167
methyl 2-[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate

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

7610-2167

Molecular Formula

C18H15BrN2O4 (C18 H15 BrN2 O4)

Compound Name

methyl 2-[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate

IUPAC name

methyl 2-[3-(3-bromophenyl)-45-dihydro-12-oxazole-5-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(C1)ON=C1c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C18H15BrN2O4/c1-24-18(23)13-7-2-3-8-14(13)20-17(22)16-10-15(21-25-16)11-5-4-6-12(19)9-11/h2-9,16H,10H2,1H3,(H,20,22)/t16-/m1/s1

InChI Key

ISFKUZAQNCLQGH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05995835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.27

Polar Surface Area

66.399

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

7610-2167 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7610-2167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-2167?
Check Price and Availability of 7610-2167, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7610-2167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-2167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-2167
  • 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 7610-2167 available by request