Y044-0625 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(5-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

Y044-0625 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(5-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
Y044-0625 Screening compound: 1-(3-chloro-4-fluorophenyl)-N~3~-(5-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0625
1-(3-chloro-4-fluorophenyl)-N~3~-(5-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

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

Y044-0625

Molecular Formula

C15H13ClFN3O2S (C15 H13 ClFN3 O2 S)

Compound Name

1-(3-chloro-4-fluorophenyl)-N~3~-(5-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(3-chloro-4-fluorophenyl)-N-(5-methyl-13-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cnc(NC(C(CC2=O)CN2c(cc2)cc(Cl)c2F)=O)s1

InChI

InChI=1S/C15H13ClFN3O2S/c1-8-6-18-15(23-8)19-14(22)9-4-13(21)20(7-9)10-2-3-12(17)11(16)5-10/h2-3,5-6,9H,4,7H2,1H3,(H,18,19,22)/t9-/m1/s1

InChI Key

OLJBDLWUSQLEGW-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.41

Polar Surface Area

50.648

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

Y044-0625 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y044-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0625?
Check Price and Availability of Y044-0625, 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 Y044-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0625
  • 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 Y044-0625 available by request