8011-1358 Screening compound: benzyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

8011-1358 Screening compound: benzyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
8011-1358 Screening compound: benzyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1358
benzyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

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

8011-1358

Molecular Formula

C21H19FN2O2S (C21 H19 FN2 O2 S)

Compound Name

benzyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

IUPAC name

benzyl 1-[4-(4-fluorophenyl)-13-thiazol-2-yl]pyrrolidine-2-carboxylate

SMILES

O=C(C(CCC1)N1c1nc(-c(cc2)ccc2F)cs1)OCc1ccccc1

InChI

InChI=1S/C21H19FN2O2S/c22-17-10-8-16(9-11-17)18-14-27-21(23-18)24-12-4-7-19(24)20(25)26-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19H,4,7,12-13H2/t19-/m0/s1

InChI Key

FSDGTYAXLWTVMU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02625624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.75

Polar Surface Area

34.157

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8011-1358 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1358?
Check Price and Availability of 8011-1358, 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 8011-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1358
  • 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 8011-1358 available by request