V031-1053 Screening compound: 1-{6-[3,5-bis(trifluoromethyl)phenyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine

V031-1053 Screening compound: 1-{6-[3,5-bis(trifluoromethyl)phenyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine
V031-1053 Screening compound: 1-{6-[3,5-bis(trifluoromethyl)phenyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1053
1-{6-[3,5-bis(trifluoromethyl)phenyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine

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

V031-1053

Molecular Formula

C20H19F6N3O (C20 H19 F6 N3 O)

Compound Name

1-{6-[3,5-bis(trifluoromethyl)phenyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine

IUPAC name

1-{6-[35-bis(trifluoromethyl)phenyl]-5H6H7H8H-imidazo[12-a]pyridine-2-carbonyl}pyrrolidine

SMILES

O=C(c1cn(CC(CC2)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2n1)N1CCCC1

InChI

InChI=1S/C20H19F6N3O/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)12-3-4-17-27-16(11-29(17)10-12)18(30)28-5-1-2-6-28/h7-9,11-12H,1-6,10H2/t12-/m0/s1

InChI Key

AUGIXHMUHCHGTI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19942576

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.39

Polar Surface Area

29.790

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V031-1053 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V031-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1053?
Check Price and Availability of V031-1053, 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 V031-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1053
  • 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 V031-1053 available by request