E570-2048 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E570-2048
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E570-2048

Molecular Formula

C₂₄H₂₆N₄O₄S₂ (C24 H26 N4 O4 S2)

Compound Name

1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

IUPAC name

1-[(1-acetyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-methyl-13-benzothiazol-2-yl)pyrrolidine-2-carboxamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CCC1)C1C(Nc1nc(ccc(C)c2)c2s1)=O)(=O)=O

InChI

InChI=1S/C24H26N4O4S2/c1-14-6-8-19-22(11-14)33-24(25-19)26-23(30)21-5-4-10-27(21)34(31,32)18-7-9-20-17(13-18)12-15(2)28(20)16(3)29/h6-9,11,13,15,21H,4-5,10,12H2,1-3H3,(H,25,26,30)

InChI Key

ZFJLAKCMOZRWJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.96

Polar Surface Area

80.996

Acid Dissociation Constant (pK_a)

10.15

Base Dissociation Constant (pK_b)

-0.33

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

37.50

E570-2048 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Integrin Receptors Targeted library (1715 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Musculoskeletal
Digestive system
Nervous system
Hemic and lymphatic
Cardiovascular
Immune system
Antiviral
Infections
Immune system

Targets:

GPCR
Others

Mechanism of action:

Receptor's ligands

References: we are preparing a list of scientific research reports with E570-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E570-2048?
Check Price and Availability of E570-2048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of E570-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E570-2048
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E570-2048

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 E570-2048 available by request