V021-3149 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(2,4-difluorophenyl)-1,3-benzoxazole

V021-3149 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(2,4-difluorophenyl)-1,3-benzoxazole
V021-3149 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(2,4-difluorophenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3149
2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(2,4-difluorophenyl)-1,3-benzoxazole

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

V021-3149

Molecular Formula

C21H18F2N2O2 (C21 H18 F2 N2 O2)

Compound Name

2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(2,4-difluorophenyl)-1,3-benzoxazole

IUPAC name

2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-5-(24-difluorophenyl)-13-benzoxazole

SMILES

O=C(C1CC1)N(CCC1)C1c1nc(cc(cc2)-c(ccc(F)c3)c3F)c2o1

InChI

InChI=1S/C21H18F2N2O2/c22-14-6-7-15(16(23)11-14)13-5-8-19-17(10-13)24-20(27-19)18-2-1-9-25(18)21(26)12-3-4-12/h5-8,10-12,18H,1-4,9H2

InChI Key

ILCXQPHUAKLDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19969524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.47

Polar Surface Area

34.009

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V021-3149 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V021-3149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3149?
Check Price and Availability of V021-3149, 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 V021-3149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3149
  • 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 V021-3149 available by request