G868-1329 Screening compound: 2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

G868-1329 Screening compound: 2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine
G868-1329 Screening compound: 2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1329
2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

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

G868-1329

Molecular Formula

C19H24FN5O2S (C19 H24 FN5 O2 S)

Compound Name

2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

IUPAC name

2-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(pyrrolidin-1-yl)pyrimidine

SMILES

Cc1nc(N(CC2)CCN2S(c2cc(F)ccc2)(=O)=O)nc(N2CCCC2)c1

InChI

InChI=1S/C19H24FN5O2S/c1-15-13-18(23-7-2-3-8-23)22-19(21-15)24-9-11-25(12-10-24)28(26,27)17-6-4-5-16(20)14-17/h4-6,13-14H,2-3,7-12H2,1H3

InChI Key

SSZRRWJKTOXXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-3.83

Polar Surface Area

55.796

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

G868-1329 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G868-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1329?
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What is the minimum amount of G868-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1329
  • 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 G868-1329 available by request