G271-0311 Screening compound: 1-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one

G271-0311 Screening compound: 1-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
G271-0311 Screening compound: 1-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G271-0311
1-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-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

G271-0311

Molecular Formula

C20H26FN5O3S (C20 H26 FN5 O3 S)

Compound Name

1-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one

IUPAC name

1-{3-[(4-fluorophenyl)methyl]-13-diazinan-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one

SMILES

O=C(Cn1cnc(S(N2CCCC2)(=O)=O)c1)N1CN(Cc(cc2)ccc2F)CCC1

InChI

InChI=1S/C20H26FN5O3S/c21-18-6-4-17(5-7-18)12-23-8-3-9-25(16-23)20(27)14-24-13-19(22-15-24)30(28,29)26-10-1-2-11-26/h4-7,13,15H,1-3,8-12,14,16H2

InChI Key

KDHQWTCNPUNVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14992710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.152

Water Solubility, LogSw

-2.18

Polar Surface Area

64.826

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G271-0311 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G271-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G271-0311?
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What is the minimum amount of G271-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G271-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G271-0311
  • 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 G271-0311 available by request