C700-0691 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0691 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0691 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0691
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-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

C700-0691

Molecular Formula

C29H38N4O6S (C29 H38 N4 O6 S)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)NCCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C29H38N4O6S/c34-28(30-11-4-12-31-13-9-24(10-14-31)19-23-5-2-1-3-6-23)21-33-26-20-25(7-8-27(26)39-22-29(33)35)40(36,37)32-15-17-38-18-16-32/h1-3,5-8,20,24H,4,9-19,21-22H2,(H,30,34)

InChI Key

MSWZXMYAIWZLKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-2.96

Polar Surface Area

91.712

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

C700-0691 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 C700-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0691?
Check Price and Availability of C700-0691, 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 C700-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0691
  • 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 C700-0691 available by request