G851-0071 Screening compound: N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea

G851-0071 Screening compound: N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea
G851-0071 Screening compound: N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0071
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)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

G851-0071

Molecular Formula

C23H20N4O4S (C23 H20 N4 O4 S)

Compound Name

N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-N'-(2-methyl-3-nitrophenyl)urea

IUPAC name

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

SMILES

CCN(c(ccc(NC(Nc1c(C)c([N+]([O-])=O)ccc1)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C23H20N4O4S/c1-3-26-19-12-11-15(13-21(19)32-20-10-5-4-7-16(20)22(26)28)24-23(29)25-17-8-6-9-18(14(17)2)27(30)31/h4-13H,3H2,1-2H3,(H2,24,25,29)

InChI Key

SLPPOYALACSEBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.42

Polar Surface Area

80.083

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G851-0071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G851-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0071?
Check Price and Availability of G851-0071, 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 G851-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0071
  • 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 G851-0071 available by request