E699-3270 Screening compound: 3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]butanamide

E699-3270 Screening compound: 3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]butanamide
E699-3270 Screening compound: 3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-3270
3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]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

E699-3270

Molecular Formula

C18H20N2O4S3 (C18 H20 N2 O4 S3)

Compound Name

3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]butanamide

IUPAC name

3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]-N-[(thiophen-2-yl)methyl]butanamide

SMILES

CC(CC(NCc1cccs1)=O)S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O

InChI

InChI=1S/C18H20N2O4S3/c1-11(8-17(21)19-10-13-4-3-7-25-13)27(23,24)14-5-6-16-15(9-14)20-18(22)12(2)26-16/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,21)(H,20,22)

InChI Key

QVADQYVCBCQGAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.430

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-2.94

Polar Surface Area

80.107

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

E699-3270 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E699-3270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-3270?
Check Price and Availability of E699-3270, 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 E699-3270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-3270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-3270
  • 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 E699-3270 available by request