P585-2653 Screening compound: 2-[4-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-phenylacetamide

P585-2653 Screening compound: 2-[4-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-phenylacetamide
P585-2653 Screening compound: 2-[4-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2653
2-[4-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-phenylacetamide

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

P585-2653

Molecular Formula

C20H17FN4O3S (C20 H17 FN4 O3 S)

Compound Name

2-[4-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-phenylacetamide

IUPAC name

2-[4-(3-fluorophenyl)-11-dioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]-N-phenylacetamide

SMILES

O=C(CN(CN(c1cc(F)ccc1)c1c2cccn1)S2(=O)=O)Nc1ccccc1

InChI

InChI=1S/C20H17FN4O3S/c21-15-6-4-9-17(12-15)25-14-24(13-19(26)23-16-7-2-1-3-8-16)29(27,28)18-10-5-11-22-20(18)25/h1-12H,13-14H2,(H,23,26)

InChI Key

HTKGFTLMIRUYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.48

Polar Surface Area

67.965

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with P585-2653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2653?
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What is the minimum amount of P585-2653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2653
  • 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 P585-2653 available by request