Y031-6098 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N~3~-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide

Y031-6098 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N~3~-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
Y031-6098 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N~3~-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6098
1-(3-chloro-4-fluorophenyl)-5-oxo-N~3~-(1,3-thiazol-2-yl)-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

Y031-6098

Molecular Formula

C14H11ClFN3O2S (C14 H11 ClFN3 O2 S)

Compound Name

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

IUPAC name

1-(3-chloro-4-fluorophenyl)-5-oxo-N-(13-thiazol-2-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)cc(Cl)c1F)Nc1nccs1

InChI

InChI=1S/C14H11ClFN3O2S/c15-10-6-9(1-2-11(10)16)19-7-8(5-12(19)20)13(21)18-14-17-3-4-22-14/h1-4,6,8H,5,7H2,(H,17,18,21)/t8-/m1/s1

InChI Key

NZLUOFKQUNJWLS-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD09459345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.78

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

2.172

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-3.22

Polar Surface Area

50.558

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

Y031-6098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-6098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6098?
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What is the minimum amount of Y031-6098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6098
  • 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 Y031-6098 available by request