V011-2125 Screening compound: methyl 3-[1-(2,4-difluorobenzoyl)-4-piperidyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

V011-2125 Screening compound: methyl 3-[1-(2,4-difluorobenzoyl)-4-piperidyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
V011-2125 Screening compound: methyl 3-[1-(2,4-difluorobenzoyl)-4-piperidyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-2125
methyl 3-[1-(2,4-difluorobenzoyl)-4-piperidyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

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

V011-2125

Molecular Formula

C21H18F2N2O5 (C21 H18 F2 N2 O5)

Compound Name

methyl 3-[1-(2,4-difluorobenzoyl)-4-piperidyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

IUPAC name

methyl 3-[1-(24-difluorobenzoyl)piperidin-4-yl]-2-oxo-23-dihydro-13-benzoxazole-5-carboxylate

SMILES

COC(c(cc1)cc(N2C(CC3)CCN3C(c(ccc(F)c3)c3F)=O)c1OC2=O)=O

InChI

InChI=1S/C21H18F2N2O5/c1-29-20(27)12-2-5-18-17(10-12)25(21(28)30-18)14-6-8-24(9-7-14)19(26)15-4-3-13(22)11-16(15)23/h2-5,10-11,14H,6-9H2,1H3

InChI Key

OEDREOPKJRMNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.70

Polar Surface Area

59.919

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

V011-2125 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V011-2125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-2125?
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What is the minimum amount of V011-2125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-2125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-2125
  • 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 V011-2125 available by request