F788-0227 Screening compound: 1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine

F788-0227 Screening compound: 1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine
F788-0227 Screening compound: 1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F788-0227
1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine

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

F788-0227

Molecular Formula

C21H23Cl2N3O3S (C21 H23 Cl2 N3 O3 S)

Compound Name

1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine

IUPAC name

1-[2-chloro-5-(pyrrolidine-1-sulfonyl)benzoyl]-4-(3-chlorophenyl)piperazine

SMILES

O=C(c(cc(cc1)S(N2CCCC2)(=O)=O)c1Cl)N(CC1)CCN1c1cc(Cl)ccc1

InChI

InChI=1S/C21H23Cl2N3O3S/c22-16-4-3-5-17(14-16)24-10-12-25(13-11-24)21(27)19-15-18(6-7-20(19)23)30(28,29)26-8-1-2-9-26/h3-7,14-15H,1-2,8-13H2

InChI Key

XCMXYIDVWHINBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13904572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.39

Polar Surface Area

52.224

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F788-0227 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F788-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F788-0227?
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What is the minimum amount of F788-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F788-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F788-0227
  • 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 F788-0227 available by request