F601-0769 Screening compound: ETHYL 3-{3-[(4-METHYLPHENYL)METHYL]-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-5-AMIDO}BENZOATE

F601-0769 Screening compound: ETHYL 3-{3-[(4-METHYLPHENYL)METHYL]-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-5-AMIDO}BENZOATE
F601-0769 Screening compound: ETHYL 3-{3-[(4-METHYLPHENYL)METHYL]-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-5-AMIDO}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound F601-0769
ETHYL 3-{3-[(4-METHYLPHENYL)METHYL]-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-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

F601-0769

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

ETHYL 3-{3-[(4-METHYLPHENYL)METHYL]-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-5-AMIDO}BENZOATE

IUPAC name

n/a

SMILES

CCOC(c1cccc(NC(c(cc2)cc(N3Cc4ccc(C)cc4)c2OC3=O)=O)c1)=O

InChI

InChI=1S/C25H22N2O5/c1-3-31-24(29)19-5-4-6-20(13-19)26-23(28)18-11-12-22-21(14-18)27(25(30)32-22)15-17-9-7-16(2)8-10-17/h4-14H,3,15H2,1-2H3,(H,26,28)

InChI Key

KLLJMURFDSGKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.30

Polar Surface Area

66.912

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with F601-0769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F601-0769?
Check Price and Availability of F601-0769, 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 F601-0769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F601-0769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F601-0769
  • 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 F601-0769 available by request