M330-0062 Screening compound: 1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-2,3-dihydro-1H-indole

M330-0062 Screening compound: 1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-2,3-dihydro-1H-indole
M330-0062 Screening compound: 1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound M330-0062
1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-2,3-dihydro-1H-indole

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

M330-0062

Molecular Formula

C22H24N4O3S2 (C22 H24 N4 O3 S2)

Compound Name

1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-2,3-dihydro-1H-indole

IUPAC name

1-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-13-thiazol-2-yl]-1H-pyrrol-3-yl}sulfonyl)-23-dihydro-1H-indole

SMILES

Cc1c(C(N2CCCC2)=O)sc(-c2cc(S(N(CC3)c4c3cccc4)(=O)=O)cn2C)n1

InChI

InChI=1S/C22H24N4O3S2/c1-15-20(22(27)25-10-5-6-11-25)30-21(23-15)19-13-17(14-24(19)2)31(28,29)26-12-9-16-7-3-4-8-18(16)26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3

InChI Key

CEPNWBWSIOXZOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.77

Polar Surface Area

61.392

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M330-0062 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M330-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M330-0062?
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What is the minimum amount of M330-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M330-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M330-0062
  • 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 M330-0062 available by request