1683-6921 Screening compound: methyl 3-(1H-indol-3-yl)-2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]propanoate

Chemical Structure Depiction of ChemDiv screening compound 1683-6921
methyl 3-(1H-indol-3-yl)-2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]propanoate

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

1683-6921

Molecular Formula

C₂₈H₂₉N₃O₅S (C28 H29 N3 O5 S)

Compound Name

methyl 3-(1H-indol-3-yl)-2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]propanoate

IUPAC name

methyl 3-(1H-indol-3-yl)-2-[2-(4-methylbenzenesulfonamido)-3-phenylpropanamido]propanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(NC(Cc1c[nH]c2c1cccc2)C(OC)=O)=O)(=O)=O

InChI

InChI=1S/C28H29N3O5S/c1-19-12-14-22(15-13-19)37(34,35)31-25(16-20-8-4-3-5-9-20)27(32)30-26(28(33)36-2)17-21-18-29-24-11-7-6-10-23(21)24/h3-15,18,25-26,29,31H,16-17H2,1-2H3,(H,30,32)

InChI Key

RXRRKDKDGWJWFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.34

Polar Surface Area

96.929

Acid Dissociation Constant (pK_a)

10.44

Base Dissociation Constant (pK_b)

-2.69

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

21.40

1683-6921 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Targets:

Nuclear receptors
Proteases
Phosphatases

Mechanism of action:

Receptor's ligands
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with 1683-6921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6921?
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What is the minimum amount of 1683-6921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 1683-6921
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for 1683-6921

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 1683-6921 available by request