L499-0612 Screening compound: methyl 4-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamido}benzoate

L499-0612 Screening compound: methyl 4-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamido}benzoate
L499-0612 Screening compound: methyl 4-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L499-0612
methyl 4-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamido}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

L499-0612

Molecular Formula

C23H16FN3O4 (C23 H16 FN3 O4)

Compound Name

methyl 4-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamido}benzoate

IUPAC name

methyl 4-{3-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]benzamido}benzoate

SMILES

COC(c(cc1)ccc1NC(c1cccc(-c2nc(-c(cc3)ccc3F)no2)c1)=O)=O

InChI

InChI=1S/C23H16FN3O4/c1-30-23(29)15-7-11-19(12-8-15)25-21(28)16-3-2-4-17(13-16)22-26-20(27-31-22)14-5-9-18(24)10-6-14/h2-13H,1H3,(H,25,28)

InChI Key

NJVHBZOGXXUTJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.24

Polar Surface Area

75.909

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

L499-0612 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L499-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L499-0612?
Check Price and Availability of L499-0612, 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 L499-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L499-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L499-0612
  • 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 L499-0612 available by request