G534-1317 Screening compound: N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-methylacetamide

G534-1317 Screening compound: N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-methylacetamide
G534-1317 Screening compound: N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-1317
N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-methylacetamide

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

G534-1317

Molecular Formula

C25H22F2N4O2S (C25 H22 F2 N4 O2 S)

Compound Name

N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-methylacetamide

IUPAC name

N-(4-fluorophenyl)-2-{[1-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-methylacetamide

SMILES

CN(C(CSc1nc(cccc2)c2n1CC(NCc(cc1)ccc1F)=O)=O)c(cc1)ccc1F

InChI

InChI=1S/C25H22F2N4O2S/c1-30(20-12-10-19(27)11-13-20)24(33)16-34-25-29-21-4-2-3-5-22(21)31(25)15-23(32)28-14-17-6-8-18(26)9-7-17/h2-13H,14-16H2,1H3,(H,28,32)

InChI Key

QDQXAOZWRDPHGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-3.99

Polar Surface Area

50.062

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G534-1317 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G534-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-1317?
Check Price and Availability of G534-1317, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G534-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-1317
  • 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 G534-1317 available by request