G874-0824 Screening compound: ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]formamido}propanoate

G874-0824 Screening compound: ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]formamido}propanoate
G874-0824 Screening compound: ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]formamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G874-0824
ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]formamido}propanoate

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

G874-0824

Molecular Formula

C16H25N3O4S (C16 H25 N3 O4 S)

Compound Name

ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]formamido}propanoate

IUPAC name

ethyl 3-{[4-(ethoxymethyl)-2-(pyrrolidin-1-yl)-13-thiazol-5-yl]formamido}propanoate

SMILES

CCOCc1c(C(NCCC(OCC)=O)=O)sc(N2CCCC2)n1

InChI

InChI=1S/C16H25N3O4S/c1-3-22-11-12-14(15(21)17-8-7-13(20)23-4-2)24-16(18-12)19-9-5-6-10-19/h3-11H2,1-2H3,(H,17,21)

InChI Key

APPNOGWPVGBGBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.37

Polar Surface Area

67.887

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

G874-0824 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G874-0824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G874-0824?
Check Price and Availability of G874-0824, 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 G874-0824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G874-0824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G874-0824
  • 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 G874-0824 available by request