8017-2622 Screening compound: 4-(2-oxo-1-pyrrolidinyl)-N~1~-[1-(1-pyrrolidinylmethyl)cyclohexyl]-1-benzenesulfonamide

8017-2622 Screening compound: 4-(2-oxo-1-pyrrolidinyl)-N~1~-[1-(1-pyrrolidinylmethyl)cyclohexyl]-1-benzenesulfonamide
8017-2622 Screening compound: 4-(2-oxo-1-pyrrolidinyl)-N~1~-[1-(1-pyrrolidinylmethyl)cyclohexyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2622
4-(2-oxo-1-pyrrolidinyl)-N~1~-[1-(1-pyrrolidinylmethyl)cyclohexyl]-1-benzenesulfonamide

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

8017-2622

Molecular Formula

C21H31N3O3S (C21 H31 N3 O3 S)

Compound Name

4-(2-oxo-1-pyrrolidinyl)-N~1~-[1-(1-pyrrolidinylmethyl)cyclohexyl]-1-benzenesulfonamide

IUPAC name

4-(2-oxopyrrolidin-1-yl)-N-{1-[(pyrrolidin-1-yl)methyl]cyclohexyl}benzene-1-sulfonamide

SMILES

O=C(CCC1)N1c(cc1)ccc1S(NC1(CN2CCCC2)CCCCC1)(=O)=O

InChI

InChI=1S/C21H31N3O3S/c25-20-7-6-16-24(20)18-8-10-19(11-9-18)28(26,27)22-21(12-2-1-3-13-21)17-23-14-4-5-15-23/h8-11,22H,1-7,12-17H2

InChI Key

KRJXYSJXTBLMFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-3.15

Polar Surface Area

63.167

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8017-2622 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2622?
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What is the minimum amount of 8017-2622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2622
  • 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 8017-2622 available by request