C785-3281 Screening compound: N~1~-(4-fluorobenzyl)-2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C785-3281 Screening compound: N~1~-(4-fluorobenzyl)-2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C785-3281 Screening compound: N~1~-(4-fluorobenzyl)-2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-3281
N~1~-(4-fluorobenzyl)-2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

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

C785-3281

Molecular Formula

C18H15FN4O2S (C18 H15 FN4 O2 S)

Compound Name

N~1~-(4-fluorobenzyl)-2-[2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{4-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

Cc1cc(n(C=NN(CC(NCc(cc2)ccc2F)=O)C2=O)c2c2)c2s1

InChI

InChI=1S/C18H15FN4O2S/c1-11-6-14-16(26-11)7-15-18(25)23(21-10-22(14)15)9-17(24)20-8-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,24)

InChI Key

CILKSEBDIUPSOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-2.83

Polar Surface Area

55.173

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C785-3281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-3281?
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What is the minimum amount of C785-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-3281
  • 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 C785-3281 available by request