C795-0712 Screening compound: N~1~-(4-ethylbenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C795-0712 Screening compound: N~1~-(4-ethylbenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C795-0712 Screening compound: N~1~-(4-ethylbenzyl)-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 C795-0712
N~1~-(4-ethylbenzyl)-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

C795-0712

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc1ccc(CC)cc1)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C22H24N4O3/c1-4-15-6-8-16(9-7-15)13-23-21(27)17(5-2)26-22(28)19-12-20-18(10-11-29-20)25(19)14(3)24-26/h6-12,17H,4-5,13H2,1-3H3,(H,23,27)/t17-/m0/s1

InChI Key

UOZKVWGIGOQLHL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14797045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.59

Polar Surface Area

60.650

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C795-0712 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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 C795-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0712?
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What is the minimum amount of C795-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0712
  • 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 C795-0712 available by request