C534-0388 Screening compound: ethyl 1-{2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperidine-3-carboxylate

C534-0388 Screening compound: ethyl 1-{2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperidine-3-carboxylate
C534-0388 Screening compound: ethyl 1-{2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0388
ethyl 1-{2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}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

C534-0388

Molecular Formula

C22H29N3O8S (C22 H29 N3 O8 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C22H29N3O8S/c1-2-32-22(28)16-4-3-7-23(13-16)20(26)14-25-18-12-17(5-6-19(18)33-15-21(25)27)34(29,30)24-8-10-31-11-9-24/h5-6,12,16H,2-4,7-11,13-15H2,1H3/t16-/m0/s1

InChI Key

QZVTXUCNXKYWJF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14768504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.494

Distribution Coefficient, logD

0.494

Water Solubility, LogSw

-2.34

Polar Surface Area

100.767

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

C534-0388 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C534-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0388?
Check Price and Availability of C534-0388, 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 C534-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0388
  • 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 C534-0388 available by request