G851-0041 Screening compound: 3,4-dichloro-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide

G851-0041 Screening compound: 3,4-dichloro-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
G851-0041 Screening compound: 3,4-dichloro-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0041
3,4-dichloro-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide

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

G851-0041

Molecular Formula

C22H16Cl2N2O2S (C22 H16 Cl2 N2 O2 S)

Compound Name

3,4-dichloro-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide

IUPAC name

34-dichloro-N-{9-ethyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}benzamide

SMILES

CCN(c(ccc(NC(c(cc1)cc(Cl)c1Cl)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C22H16Cl2N2O2S/c1-2-26-18-10-8-14(25-21(27)13-7-9-16(23)17(24)11-13)12-20(18)29-19-6-4-3-5-15(19)22(26)28/h3-12H,2H2,1H3,(H,25,27)

InChI Key

GOOANURWUWXTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.35

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

6.251

Distribution Coefficient, logD

6.250

Water Solubility, LogSw

-6.00

Polar Surface Area

38.488

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G851-0041 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G851-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0041?
Check Price and Availability of G851-0041, 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 G851-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0041
  • 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 G851-0041 available by request