C794-0286 Screening compound: N~1~-(4-isopropoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C794-0286 Screening compound: N~1~-(4-isopropoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C794-0286 Screening compound: N~1~-(4-isopropoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0286
N~1~-(4-isopropoxybenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

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

C794-0286

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

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

IUPAC name

2-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

SMILES

CCC(C(NCc(cc1)ccc1OC(C)C)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C23H26N4O4/c1-5-18(22(28)24-13-16-6-8-17(9-7-16)31-14(2)3)27-23(29)20-12-21-19(10-11-30-21)26(20)15(4)25-27/h6-12,14,18H,5,13H2,1-4H3,(H,24,28)/t18-/m0/s1

InChI Key

UHCZGANHIWYCHZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14796158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.42

Polar Surface Area

67.453

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C794-0286 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C794-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0286?
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What is the minimum amount of C794-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0286
  • 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 C794-0286 available by request