7599-1208 Screening compound: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-chlorobenzoate

7599-1208 Screening compound: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-chlorobenzoate
7599-1208 Screening compound: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1208
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-chlorobenzoate

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

7599-1208

Molecular Formula

C17H14ClNO3 (C17 H14 ClNO3)

Compound Name

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-chlorobenzoate

IUPAC name

(3-phenyl-45-dihydro-12-oxazol-5-yl)methyl 4-chlorobenzoate

SMILES

O=C(c(cc1)ccc1Cl)OCC(C1)ON=C1c1ccccc1

InChI

InChI=1S/C17H14ClNO3/c18-14-8-6-13(7-9-14)17(20)21-11-15-10-16(19-22-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1

InChI Key

ZYWUXXOYNZPGBY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03406958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.88

Polar Surface Area

43.932

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

7599-1208 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7599-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1208?
Check Price and Availability of 7599-1208, 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 7599-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1208
  • 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 7599-1208 available by request