G226-0229 Screening compound: methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

G226-0229 Screening compound: methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
G226-0229 Screening compound: methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0229
methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

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

G226-0229

Molecular Formula

C19H18FN3O4S2 (C19 H18 FN3 O4 S2)

Compound Name

methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 4-fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1cccc(F)c11)c1S(N(CC1)CCN1c1ncccc1)(=O)=O)=O

InChI

InChI=1S/C19H18FN3O4S2/c1-27-19(24)17-18(16-13(20)5-4-6-14(16)28-17)29(25,26)23-11-9-22(10-12-23)15-7-2-3-8-21-15/h2-8H,9-12H2,1H3

InChI Key

ZCRWTNRJEOUGNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.89

Polar Surface Area

65.642

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G226-0229 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G226-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0229?
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What is the minimum amount of G226-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0229
  • 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 G226-0229 available by request