F633-0152 Screening compound: ethyl 1-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

F633-0152 Screening compound: ethyl 1-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate
F633-0152 Screening compound: ethyl 1-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F633-0152
ethyl 1-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

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

F633-0152

Molecular Formula

C22H29N3O7S (C22 H29 N3 O7 S)

Compound Name

ethyl 1-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C22H29N3O7S/c1-2-31-22(28)16-4-3-9-24(13-16)21(27)15-7-10-25(11-8-15)33(29,30)17-5-6-19-18(12-17)23-20(26)14-32-19/h5-6,12,15-16H,2-4,7-11,13-14H2,1H3,(H,23,26)/t16-/m0/s1

InChI Key

VLHYBKPSNHAWLN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27180543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-2.56

Polar Surface Area

102.555

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

F633-0152 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F633-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F633-0152?
Check Price and Availability of F633-0152, 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 F633-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F633-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F633-0152
  • 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 F633-0152 available by request