P585-2674 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~-(2-thienylmethyl)acetamide

P585-2674 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~-(2-thienylmethyl)acetamide
P585-2674 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~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2674
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~-(2-thienylmethyl)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

P585-2674

Molecular Formula

C19H17FN4O3S2 (C19 H17 FN4 O3 S2)

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~-(2-thienylmethyl)acetamide

IUPAC name

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

SMILES

O=C(CN(CN(c1cc(F)ccc1)c1c2cccn1)S2(=O)=O)NCc1cccs1

InChI

InChI=1S/C19H17FN4O3S2/c20-14-4-1-5-15(10-14)24-13-23(12-18(25)22-11-16-6-3-9-28-16)29(26,27)17-7-2-8-21-19(17)24/h1-10H,11-13H2,(H,22,25)

InChI Key

KZOKSMNAUGQJRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.39

Polar Surface Area

70.305

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with P585-2674 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2674
  • 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 P585-2674 available by request