T003-0260 Screening compound: N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-butynamide

T003-0260 Screening compound: N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-butynamide
T003-0260 Screening compound: N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-butynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0260
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-butynamide

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

T003-0260

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-2-butynamide

IUPAC name

N-[(3S4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]but-2-ynamide

SMILES

CC#CC(N[C@@H]1[C@@H](CO)CN(Cc2ccccc2)C1)=O

InChI

InChI=1S/C16H20N2O2/c1-2-6-16(20)17-15-11-18(10-14(15)12-19)9-13-7-4-3-5-8-13/h3-5,7-8,14-15,19H,9-12H2,1H3,(H,17,20)/t14-,15+/m1/s1

InChI Key

VWADPFJFXUBLJA-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.279

Distribution Coefficient, logD

0.556

Water Solubility, LogSw

-1.70

Polar Surface Area

45.714

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

T003-0260 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T003-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0260?
Check Price and Availability of T003-0260, 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 T003-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0260
  • 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 T003-0260 available by request