V010-4121 Screening compound: 2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-1-one

V010-4121 Screening compound: 2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-1-one
V010-4121 Screening compound: 2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4121
2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-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

V010-4121

Molecular Formula

C26H20F4N2O2 (C26 H20 F4 N2 O2)

Compound Name

2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(4-fluorophenyl)-1-(2-{5-[2-(trifluoromethyl)phenyl]-13-benzoxazol-2-yl}pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1F)N(CCC1)C1c1nc(cc(cc2)-c3c(C(F)(F)F)cccc3)c2o1

InChI

InChI=1S/C26H20F4N2O2/c27-18-10-7-16(8-11-18)14-24(33)32-13-3-6-22(32)25-31-21-15-17(9-12-23(21)34-25)19-4-1-2-5-20(19)26(28,29)30/h1-2,4-5,7-12,15,22H,3,6,13-14H2/t22-/m0/s1

InChI Key

MKZJPTNDYIKTMG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19969663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.82

Polar Surface Area

32.958

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V010-4121 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V010-4121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4121?
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What is the minimum amount of V010-4121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4121
  • 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 V010-4121 available by request