T502-0839 Screening compound: ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}propanoate

T502-0839 Screening compound: ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}propanoate
T502-0839 Screening compound: ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0839
ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}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

T502-0839

Molecular Formula

C15H24FN3O4 (C15 H24 FN3 O4)

Compound Name

ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[4-(cyclopropylcarbamoyl)-4-fluoropiperidine-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CC1)CCC1(C(NC1CC1)=O)F)=O)=O

InChI

InChI=1S/C15H24FN3O4/c1-2-23-12(20)5-8-17-14(22)19-9-6-15(16,7-10-19)13(21)18-11-3-4-11/h11H,2-10H2,1H3,(H,17,22)(H,18,21)

InChI Key

KKSYYDXSMDVHRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.576

Distribution Coefficient, logD

0.576

Water Solubility, LogSw

-1.41

Polar Surface Area

71.771

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

T502-0839 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with T502-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0839?
Check Price and Availability of T502-0839, 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 T502-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0839
  • 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 T502-0839 available by request