C794-0167 Screening compound: N~1~-(3-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C794-0167 Screening compound: N~1~-(3-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C794-0167 Screening compound: N~1~-(3-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0167
N~1~-(3-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

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

C794-0167

Molecular Formula

C18H15BrN4O3 (C18 H15 BrN4 O3)

Compound Name

N~1~-(3-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

CC(n1c2cc3c1cco3)=NN(CC(NCc1cccc(Br)c1)=O)C2=O

InChI

InChI=1S/C18H15BrN4O3/c1-11-21-22(10-17(24)20-9-12-3-2-4-13(19)7-12)18(25)15-8-16-14(23(11)15)5-6-26-16/h2-8H,9-10H2,1H3,(H,20,24)

InChI Key

HBHSEJCFBKDXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.424

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.79

Polar Surface Area

62.319

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C794-0167 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0167?
Check Price and Availability of C794-0167, 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 C794-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0167
  • 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 C794-0167 available by request