8018-9950 Screening compound: 3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine

8018-9950 Screening compound: 3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine
8018-9950 Screening compound: 3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9950
3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine

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

8018-9950

Molecular Formula

C19H27N3O2S (C19 H27 N3 O2 S)

Compound Name

3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-amine

IUPAC name

3-(benzenesulfonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-45-dimethyl-1H-pyrrol-2-amine

SMILES

CCN1C(Cn(c(C)c2C)c(N)c2S(c2ccccc2)(=O)=O)CCC1

InChI

InChI=1S/C19H27N3O2S/c1-4-21-12-8-9-16(21)13-22-15(3)14(2)18(19(22)20)25(23,24)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-13,20H2,1-3H3/t16-/m1/s1

InChI Key

SIOSLYNKSIZXLE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09063554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

0.742

Water Solubility, LogSw

-2.42

Polar Surface Area

54.595

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8018-9950 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 8018-9950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9950?
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What is the minimum amount of 8018-9950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9950
  • 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 8018-9950 available by request