G943-0139 Screening compound: (E)-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(2-thienyl)-2-propenamide

G943-0139 Screening compound: (E)-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(2-thienyl)-2-propenamide
G943-0139 Screening compound: (E)-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(2-thienyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0139
(E)-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(2-thienyl)-2-propenamide

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

G943-0139

Molecular Formula

C21H16N2O2S2 (C21 H16 N2 O2 S2)

Compound Name

(E)-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(2-thienyl)-2-propenamide

IUPAC name

(2E)-N-{9-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-3-(thiophen-2-yl)prop-2-enamide

SMILES

CN(c(ccc(NC(/C=C/c1cccs1)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H16N2O2S2/c1-23-17-10-8-14(22-20(24)11-9-15-5-4-12-26-15)13-19(17)27-18-7-3-2-6-16(18)21(23)25/h2-13H,1H3,(H,22,24)

InChI Key

MDMLJGZVDHWJNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.36

Polar Surface Area

39.334

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

G943-0139 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G943-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0139?
Check Price and Availability of G943-0139, 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 G943-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0139
  • 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 G943-0139 available by request