T158-1305 Screening compound: ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

T158-1305 Screening compound: ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]amino}propanoate
T158-1305 Screening compound: ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-1305
ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-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

T158-1305

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CC1)CC1c1ncc(C)n1Cc1ccccc1)=O)=O

InChI

InChI=1S/C21H28N4O3/c1-3-28-19(26)9-11-22-21(27)24-12-10-18(15-24)20-23-13-16(2)25(20)14-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,14-15H2,1-2H3,(H,22,27)/t18-/m1/s1

InChI Key

AAUGDFXBBUHSOG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31975003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.56

Polar Surface Area

58.514

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

T158-1305 in Drug Discovery

Included in Screening Libraries

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

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 T158-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-1305?
Check Price and Availability of T158-1305, 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 T158-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-1305
  • 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 T158-1305 available by request