Y042-4747 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide

Y042-4747 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide
Y042-4747 Screening compound: 1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4747
1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-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

Y042-4747

Molecular Formula

C18H14FN3O2S2 (C18 H14 FN3 O2 S2)

Compound Name

1-(4-fluorophenyl)-5-oxo-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-3-pyrrolidinecarboxamide

IUPAC name

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

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1F)Nc1nc(-c2cccs2)cs1

InChI

InChI=1S/C18H14FN3O2S2/c19-12-3-5-13(6-4-12)22-9-11(8-16(22)23)17(24)21-18-20-14(10-26-18)15-2-1-7-25-15/h1-7,10-11H,8-9H2,(H,20,21,24)/t11-/m0/s1

InChI Key

ZRDVMISLMILALN-NSHDSACASA-N

MDL Number (MFCD)

MFCD22203735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.66

Polar Surface Area

50.873

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y042-4747 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-4747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4747?
Check Price and Availability of Y042-4747, 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 Y042-4747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4747
  • 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 Y042-4747 available by request