E588-0171 Screening compound: 2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one

E588-0171 Screening compound: 2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
E588-0171 Screening compound: 2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E588-0171
2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one

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

E588-0171

Molecular Formula

C21H21ClN2O3S (C21 H21 ClN2 O3 S)

Compound Name

2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{3-[(4-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(S(Cc(cc2)ccc2Cl)(=O)=O)c1)N1CCCC1

InChI

InChI=1S/C21H21ClN2O3S/c22-17-9-7-16(8-10-17)15-28(26,27)20-13-24(19-6-2-1-5-18(19)20)14-21(25)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14-15H2

InChI Key

KJYJZWKGCFJRSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05965200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.47

Polar Surface Area

47.494

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E588-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E588-0171?
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What is the minimum amount of E588-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E588-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E588-0171
  • 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 E588-0171 available by request