C785-2641 Screening compound: N~1~-(sec-butyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C785-2641 Screening compound: N~1~-(sec-butyl)-4-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C785-2641 Screening compound: N~1~-(sec-butyl)-4-[5-methyl-8-oxothieno[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 C785-2641
N~1~-(sec-butyl)-4-[5-methyl-8-oxothieno[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

C785-2641

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CCCN(C1=O)N=C(C)n2c1cc1c2ccs1)=O

InChI

InChI=1S/C17H22N4O2S/c1-4-11(2)18-16(22)6-5-8-20-17(23)14-10-15-13(7-9-24-15)21(14)12(3)19-20/h7,9-11H,4-6,8H2,1-3H3,(H,18,22)/t11-/m0/s1

InChI Key

RIJCSTRJWFNEFW-NSHDSACASA-N

MDL Number (MFCD)

MFCD14794677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.766

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-2.48

Polar Surface Area

54.557

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

C785-2641 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C785-2641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-2641?
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What is the minimum amount of C785-2641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-2641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-2641
  • 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 C785-2641 available by request