F064-0117 Screening compound: METHYL 2-[2-OXO-6-{[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]SULFONYL}-1,3-BENZOXAZOL-3(2H)-YL]ACETATE

F064-0117 Screening compound: METHYL 2-[2-OXO-6-{[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]SULFONYL}-1,3-BENZOXAZOL-3(2H)-YL]ACETATE
F064-0117 Screening compound: METHYL 2-[2-OXO-6-{[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]SULFONYL}-1,3-BENZOXAZOL-3(2H)-YL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound F064-0117
METHYL 2-[2-OXO-6-{[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]SULFONYL}-1,3-BENZOXAZOL-3(2H)-YL]ACETATE

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

F064-0117

Molecular Formula

C21H20N2O6S (C21 H20 N2 O6 S)

Compound Name

METHYL 2-[2-OXO-6-{[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]SULFONYL}-1,3-BENZOXAZOL-3(2H)-YL]ACETATE

IUPAC name

methyl 2-{2-oxo-6-[(4-phenyl-1236-tetrahydropyridin-1-yl)sulfonyl]-23-dihydro-13-benzoxazol-3-yl}acetate

SMILES

COC(CN(c(ccc(S(N(CC1)CC=C1c1ccccc1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C21H20N2O6S/c1-28-20(24)14-23-18-8-7-17(13-19(18)29-21(23)25)30(26,27)22-11-9-16(10-12-22)15-5-3-2-4-6-15/h2-9,13H,10-12,14H2,1H3

InChI Key

JUIHDRBVCAZZHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.63

Polar Surface Area

75.357

Acid Dissociation Constant (pKa)

20.89

Base Dissociation Constant (pKb)

-6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

F064-0117 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F064-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F064-0117?
Check Price and Availability of F064-0117, 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 F064-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F064-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F064-0117
  • 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 F064-0117 available by request