G851-0079 Screening compound: N-(4-bromo-3-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)urea

G851-0079 Screening compound: N-(4-bromo-3-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)urea
G851-0079 Screening compound: N-(4-bromo-3-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0079
N-(4-bromo-3-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)urea

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

G851-0079

Molecular Formula

C23H20BrN3O2S (C23 H20 BrN3 O2 S)

Compound Name

N-(4-bromo-3-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)urea

IUPAC name

1-(4-bromo-3-methylphenyl)-3-{9-ethyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}urea

SMILES

CCN(c(ccc(NC(Nc(cc1)cc(C)c1Br)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C23H20BrN3O2S/c1-3-27-19-11-9-16(26-23(29)25-15-8-10-18(24)14(2)12-15)13-21(19)30-20-7-5-4-6-17(20)22(27)28/h4-13H,3H2,1-2H3,(H2,25,26,29)

InChI Key

YREHEKKAVCBHIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.792

Distribution Coefficient, logD

6.792

Water Solubility, LogSw

-5.64

Polar Surface Area

47.700

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G851-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G851-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0079?
Check Price and Availability of G851-0079, 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 G851-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0079
  • 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 G851-0079 available by request