F632-1234 Screening compound: ethyl 1-{1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

F632-1234 Screening compound: ethyl 1-{1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate
F632-1234 Screening compound: ethyl 1-{1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-1234
ethyl 1-{1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-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

F632-1234

Molecular Formula

C21H26ClN3O7S (C21 H26 ClN3 O7 S)

Compound Name

ethyl 1-{1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CCC1)N1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O)=O

InChI

InChI=1S/C21H26ClN3O7S/c1-2-31-21(28)13-5-8-24(9-6-13)20(27)16-4-3-7-25(16)33(29,30)18-11-17-15(10-14(18)22)23-19(26)12-32-17/h10-11,13,16H,2-9,12H2,1H3,(H,23,26)/t16-/m0/s1

InChI Key

NCUUUUZZPUUUHI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27180472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.97

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

1.167

Distribution Coefficient, logD

1.108

Water Solubility, LogSw

-2.92

Polar Surface Area

103.458

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

F632-1234 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 F632-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-1234?
Check Price and Availability of F632-1234, 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 F632-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-1234
  • 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 F632-1234 available by request