C795-1042 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3,4,5-trimethoxyphenethyl)butanamide

C795-1042 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3,4,5-trimethoxyphenethyl)butanamide
C795-1042 Screening compound: 4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3,4,5-trimethoxyphenethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1042
4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(3,4,5-trimethoxyphenethyl)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

C795-1042

Molecular Formula

C23H26N4O6 (C23 H26 N4 O6)

Compound Name

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

IUPAC name

4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-[2-(345-trimethoxyphenyl)ethyl]butanamide

SMILES

COc1cc(CCNC(CCCN(C2=O)N=Cn3c2cc2c3cco2)=O)cc(OC)c1OC

InChI

InChI=1S/C23H26N4O6/c1-30-19-11-15(12-20(31-2)22(19)32-3)6-8-24-21(28)5-4-9-27-23(29)17-13-18-16(7-10-33-18)26(17)14-25-27/h7,10-14H,4-6,8-9H2,1-3H3,(H,24,28)

InChI Key

LLVKCLXKUFERFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.331

Distribution Coefficient, logD

0.331

Water Solubility, LogSw

-2.02

Polar Surface Area

85.425

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C795-1042 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1042?
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What is the minimum amount of C795-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1042
  • 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 C795-1042 available by request