K607-0541 Screening compound: 4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate

K607-0541 Screening compound: 4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate
K607-0541 Screening compound: 4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K607-0541
4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate

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

K607-0541

Molecular Formula

C30H20F2N2O7 (C30 H20 F2 N2 O7)

Compound Name

4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate

IUPAC name

4-{3-[4-(3-fluoro-4-methoxybenzoyloxy)phenyl]-124-oxadiazol-5-yl}phenyl 3-fluoro-4-methoxybenzoate

SMILES

COc(ccc(C(Oc(cc1)ccc1-c1noc(-c(cc2)ccc2OC(c(cc2)cc(F)c2OC)=O)n1)=O)c1)c1F

InChI

InChI=1S/C30H20F2N2O7/c1-37-25-13-7-19(15-23(25)31)29(35)39-21-9-3-17(4-10-21)27-33-28(41-34-27)18-5-11-22(12-6-18)40-30(36)20-8-14-26(38-2)24(32)16-20/h3-16H,1-2H3

InChI Key

LCRZNKDERNUJLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.391

Distribution Coefficient, logD

6.391

Water Solubility, LogSw

-5.77

Polar Surface Area

87.661

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K607-0541 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 K607-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K607-0541?
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What is the minimum amount of K607-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K607-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K607-0541
  • 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 K607-0541 available by request