E667-1107 Screening compound: 6-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

E667-1107 Screening compound: 6-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
E667-1107 Screening compound: 6-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1107
6-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

E667-1107

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

6-[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[4-oxo-4-(1234-tetrahydroisoquinolin-2-yl)butane-2-sulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CC(N(CC1)Cc2c1cccc2)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-14(10-21(25)23-9-8-15-4-2-3-5-16(15)12-23)29(26,27)17-6-7-19-18(11-17)22-20(24)13-28-19/h2-7,11,14H,8-10,12-13H2,1H3,(H,22,24)/t14-/m0/s1

InChI Key

GHBDXQQLEDCGAB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14909058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.712

Distribution Coefficient, logD

1.712

Water Solubility, LogSw

-2.76

Polar Surface Area

79.064

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E667-1107 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E667-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1107?
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What is the minimum amount of E667-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1107
  • 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 E667-1107 available by request