T161-0602 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide

T161-0602 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide
T161-0602 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0602
N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide

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

T161-0602

Molecular Formula

C13H21N3O (C13 H21 N3 O)

Compound Name

N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide

IUPAC name

N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}cyclopropanecarboxamide

SMILES

CC(C)n1c(CCNC(C2CC2)=O)ncc1C

InChI

InChI=1S/C13H21N3O/c1-9(2)16-10(3)8-15-12(16)6-7-14-13(17)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,14,17)

InChI Key

BRNNLJUDJWPIKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.252

Distribution Coefficient, logD

-1.156

Water Solubility, LogSw

-1.83

Polar Surface Area

38.524

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

T161-0602 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T161-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0602?
Check Price and Availability of T161-0602, 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 T161-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0602
  • 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 T161-0602 available by request