D483-1481 Screening compound: N-(2,5-difluorophenyl)-2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D483-1481 Screening compound: N-(2,5-difluorophenyl)-2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D483-1481 Screening compound: N-(2,5-difluorophenyl)-2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D483-1481
N-(2,5-difluorophenyl)-2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-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

D483-1481

Molecular Formula

C22H20F2N6O2S (C22 H20 F2 N6 O2 S)

Compound Name

N-(2,5-difluorophenyl)-2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(25-difluorophenyl)-2-{[5-({28-dimethyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methyl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(C=CN12)=CC2=NC(C)=C(Cc(n2C)nnc2SCC(Nc(cc(cc2)F)c2F)=O)C1=O

InChI

InChI=1S/C22H20F2N6O2S/c1-12-6-7-30-18(8-12)25-13(2)15(21(30)32)10-19-27-28-22(29(19)3)33-11-20(31)26-17-9-14(23)4-5-16(17)24/h4-9H,10-11H2,1-3H3,(H,26,31)

InChI Key

LDOUOTIQQHSSGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-2.71

Polar Surface Area

73.376

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D483-1481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D483-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D483-1481?
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What is the minimum amount of D483-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D483-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D483-1481
  • 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 D483-1481 available by request