C700-0992 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

C700-0992 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide
C700-0992 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0992
2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}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

C700-0992

Molecular Formula

C27H44N4O5S (C27 H44 N4 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-{3-[bis(2-methylpropyl)amino]propyl}acetamide

SMILES

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

InChI

InChI=1S/C27H44N4O5S/c1-21(2)17-29(18-22(3)4)13-9-12-28-26(32)19-31-24-16-23(10-11-25(24)36-20-27(31)33)37(34,35)30-14-7-5-6-8-15-30/h10-11,16,21-22H,5-9,12-15,17-20H2,1-4H3,(H,28,32)

InChI Key

SCJPSZALJWWXOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

0.610

Water Solubility, LogSw

-3.92

Polar Surface Area

84.656

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.40

C700-0992 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C700-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0992?
Check Price and Availability of C700-0992, 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 C700-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0992
  • 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 C700-0992 available by request