E667-1371 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

E667-1371 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
E667-1371 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1371
N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

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

E667-1371

Molecular Formula

C20H21ClN2O6S (C20 H21 ClN2 O6 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]butanamide

SMILES

CC(CC(Nc(cc1)cc(Cl)c1OC)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

InChI=1S/C20H21ClN2O6S/c1-11-6-15-17(29-10-20(25)23-15)9-18(11)30(26,27)12(2)7-19(24)22-13-4-5-16(28-3)14(21)8-13/h4-6,8-9,12H,7,10H2,1-3H3,(H,22,24)(H,23,25)/t12-/m0/s1

InChI Key

VWCMTNIZNJLWEF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14909170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.08

Polar Surface Area

93.789

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E667-1371 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E667-1371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1371?
Check Price and Availability of E667-1371, 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 E667-1371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1371
  • 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 E667-1371 available by request