C700-0993 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide

C700-0993 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide
C700-0993 Screening compound: 2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0993
2-[6-(azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(2,6-dimethylpiperidin-1-yl)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

C700-0993

Molecular Formula

C26H40N4O5S (C26 H40 N4 O5 S)

Compound Name

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

IUPAC name

2-[6-(azepane-1-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[3-(26-dimethylpiperidin-1-yl)propyl]acetamide

SMILES

CC1N(CCCNC(CN2c(cc(cc3)S(N4CCCCCC4)(=O)=O)c3OCC2=O)=O)C(C)CCC1

InChI

InChI=1S/C26H40N4O5S/c1-20-9-7-10-21(2)29(20)16-8-13-27-25(31)18-30-23-17-22(11-12-24(23)35-19-26(30)32)36(33,34)28-14-5-3-4-6-15-28/h11-12,17,20-21H,3-10,13-16,18-19H2,1-2H3,(H,27,31)

InChI Key

LTWZTEFFJSDNNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

-0.758

Water Solubility, LogSw

-2.96

Polar Surface Area

82.961

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

C700-0993 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 C700-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0993?
Check Price and Availability of C700-0993, 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 C700-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0993
  • 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 C700-0993 available by request