G805-0695 Screening compound: 6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

G805-0695 Screening compound: 6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
G805-0695 Screening compound: 6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0695
6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]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

G805-0695

Molecular Formula

C17H16ClN3O6S (C17 H16 ClN3 O6 S)

Compound Name

6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-7-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c1ccco1)N(CC1)CCN1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O

InChI

InChI=1S/C17H16ClN3O6S/c18-11-8-12-14(27-10-16(22)19-12)9-15(11)28(24,25)21-5-3-20(4-6-21)17(23)13-2-1-7-26-13/h1-2,7-9H,3-6,10H2,(H,19,22)

InChI Key

HUKDSBSDOOXRJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.85

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.869

Distribution Coefficient, logD

0.811

Water Solubility, LogSw

-2.77

Polar Surface Area

90.254

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G805-0695 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G805-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0695?
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What is the minimum amount of G805-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0695
  • 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 G805-0695 available by request