V021-3137 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

V021-3137 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one
V021-3137 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3137
1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

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

V021-3137

Molecular Formula

C21H20F2N2O2 (C21 H20 F2 N2 O2)

Compound Name

1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

IUPAC name

1-{2-[5-(24-difluorophenyl)-13-benzoxazol-2-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

SMILES

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

InChI

InChI=1S/C21H20F2N2O2/c1-12(2)21(26)25-9-3-4-18(25)20-24-17-10-13(5-8-19(17)27-20)15-7-6-14(22)11-16(15)23/h5-8,10-12,18H,3-4,9H2,1-2H3/t18-/m0/s1

InChI Key

GIAHOKOBYAWIRQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19969519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

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

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.61

Polar Surface Area

33.757

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V021-3137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V021-3137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3137?
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What is the minimum amount of V021-3137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3137
  • 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 V021-3137 available by request