C785-3769 Screening compound: 2,5-diethyl-7-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C785-3769 Screening compound: 2,5-diethyl-7-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C785-3769 Screening compound: 2,5-diethyl-7-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-3769
2,5-diethyl-7-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

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

C785-3769

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

2,5-diethyl-7-{2-[4-(2-furylcarbonyl)piperazino]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

412-diethyl-10-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCc1cc(n(c2c3)C(CC)=NN(CC(N(CC4)CCN4C(c4ccco4)=O)=O)C2=O)c3s1

InChI

InChI=1S/C23H25N5O4S/c1-3-15-12-16-19(33-15)13-17-22(30)27(24-20(4-2)28(16)17)14-21(29)25-7-9-26(10-8-25)23(31)18-6-5-11-32-18/h5-6,11-13H,3-4,7-10,14H2,1-2H3

InChI Key

DEFIRCKJFPMXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.66

Polar Surface Area

72.913

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C785-3769 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-3769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3769?
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What is the minimum amount of C785-3769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3769
  • 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 C785-3769 available by request