D493-0102 Screening compound: N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide

D493-0102 Screening compound: N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide
D493-0102 Screening compound: N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D493-0102
N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide

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

D493-0102

Molecular Formula

C23H18F2N4OS (C23 H18 F2 N4 OS)

Compound Name

N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-fluorophenyl)-2-{[1-(4-fluorophenyl)-4-phenyl-16-dihydro-135-triazin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC1=NC(c2ccccc2)=NCN1c(cc1)ccc1F)Nc1cc(F)ccc1

InChI

InChI=1S/C23H18F2N4OS/c24-17-9-11-20(12-10-17)29-15-26-22(16-5-2-1-3-6-16)28-23(29)31-14-21(30)27-19-8-4-7-18(25)13-19/h1-13H,14-15H2,(H,27,30)

InChI Key

DLFXFHPPNBZTHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-5.67

Polar Surface Area

45.130

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

10.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D493-0102 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D493-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D493-0102?
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What is the minimum amount of D493-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D493-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D493-0102
  • 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 D493-0102 available by request