C785-2994 Screening compound: 2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

C785-2994 Screening compound: 2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide
C785-2994 Screening compound: 2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-2994
2-[5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)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

C785-2994

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

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

IUPAC name

2-{12-ethyl-4-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

CCC(n1c2cc3c1cc(C)s3)=NN(CC(NC(CCC1)c3c1cccc3)=O)C2=O

InChI

InChI=1S/C23H24N4O2S/c1-3-21-25-26(23(29)19-12-20-18(27(19)21)11-14(2)30-20)13-22(28)24-17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,11-12,17H,3,6,8,10,13H2,1-2H3,(H,24,28)/t17-/m0/s1

InChI Key

CCMHYOCPOYAABD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14794723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

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

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.17

Polar Surface Area

55.801

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C785-2994 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C785-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-2994?
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What is the minimum amount of C785-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-2994
  • 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 C785-2994 available by request