C200-2878 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

Chemical Structure Depiction of ChemDiv screening compound C200-2878
N~1~-[4-(aminosulfonyl)phenethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C200-2878

Molecular Formula

C₂₃H₂₈N₆O₄S₂ (C23 H28 N6 O4 S2)

Compound Name

N~1~-[4-(aminosulfonyl)phenethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

IUPAC name

4-[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

CC(C)CN(c1nnc(CCCC(NCCc(cc2)ccc2S(N)(=O)=O)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C23H28N6O4S2/c1-15(2)14-28-22(31)21-18(11-13-34-21)29-19(26-27-23(28)29)4-3-5-20(30)25-12-10-16-6-8-17(9-7-16)35(24,32)33/h6-9,11,13,15H,3-5,10,12,14H2,1-2H3,(H,25,30)(H2,24,32,33)

InChI Key

SMBSBGQEODMZLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.055

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-2.26

Polar Surface Area

115.912

Acid Dissociation Constant (pK_a)

10.18

Base Dissociation Constant (pK_b)

-0.24

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

39.10

C200-2878 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Immune system

Targets:

Kinases
Kinases

Mechanism of action:

PPI modulators
PPI modulators
Receptor's ligands

Structure:

Cyclic compounds

References: we are preparing a list of scientific research reports with C200-2878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2878?
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What is the minimum amount of C200-2878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C200-2878
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for C200-2878

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 C200-2878 available by request