C534-0657 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(propan-2-yl)acetamide

C534-0657 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(propan-2-yl)acetamide
C534-0657 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0657
2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(propan-2-yl)acetamide

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

C534-0657

Molecular Formula

C19H27N3O5S (C19 H27 N3 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(propan-2-yl)acetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C19H27N3O5S/c1-14(2)20-18(23)12-22-16-11-15(7-8-17(16)27-13-19(22)24)28(25,26)21-9-5-3-4-6-10-21/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,20,23)

InChI Key

UQQPMJKBRRNFJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.80

Polar Surface Area

79.827

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with C534-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0657?
Check Price and Availability of C534-0657, 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 C534-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0657
  • 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 C534-0657 available by request