E667-1008 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(1,2-oxazol-5-yl)phenyl]propanamide

E667-1008 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(1,2-oxazol-5-yl)phenyl]propanamide
E667-1008 Screening compound: 3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(1,2-oxazol-5-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1008
3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(1,2-oxazol-5-yl)phenyl]propanamide

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

E667-1008

Molecular Formula

C20H16ClN3O6S (C20 H16 ClN3 O6 S)

Compound Name

3-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(1,2-oxazol-5-yl)phenyl]propanamide

IUPAC name

3-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-[3-(12-oxazol-5-yl)phenyl]propanamide

SMILES

O=C(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)Nc1cc(-c2ccno2)ccc1

InChI

InChI=1S/C20H16ClN3O6S/c21-14-9-15-17(29-11-20(26)24-15)10-18(14)31(27,28)7-5-19(25)23-13-3-1-2-12(8-13)16-4-6-22-30-16/h1-4,6,8-10H,5,7,11H2,(H,23,25)(H,24,26)

InChI Key

FCNPNYNKZUNQRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.88

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-3.07

Polar Surface Area

107.292

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E667-1008 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E667-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1008?
Check Price and Availability of E667-1008, 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 E667-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1008
  • 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 E667-1008 available by request