C794-0276 Screening compound: N~1~-(2-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

C794-0276 Screening compound: N~1~-(2-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide
C794-0276 Screening compound: N~1~-(2-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0276
N~1~-(2-bromobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

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

C794-0276

Molecular Formula

C19H17BrN4O3 (C19 H17 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc(cccc1)c1Br)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C19H17BrN4O3/c1-11(18(25)21-10-13-5-3-4-6-14(13)20)24-19(26)16-9-17-15(7-8-27-17)23(16)12(2)22-24/h3-9,11H,10H2,1-2H3,(H,21,25)/t11-/m0/s1

InChI Key

IDWVVGLQOIUOQR-NSHDSACASA-N

MDL Number (MFCD)

MFCD14796151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.27

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

2.754

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.09

Polar Surface Area

61.066

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C794-0276 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0276?
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What is the minimum amount of C794-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0276
  • 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 C794-0276 available by request