V011-5170 Screening compound: 2-{6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

V011-5170 Screening compound: 2-{6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide
V011-5170 Screening compound: 2-{6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5170
2-{6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

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

V011-5170

Molecular Formula

C25H21F2N3O5 (C25 H21 F2 N3 O5)

Compound Name

2-{6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

2-{6-[2-(24-difluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

SMILES

CC(C(NCc1ncccc1)=O)N1c(cc(cc2)C(COc(ccc(F)c3)c3F)=O)c2OCC1=O

InChI

InChI=1S/C25H21F2N3O5/c1-15(25(33)29-12-18-4-2-3-9-28-18)30-20-10-16(5-7-23(20)35-14-24(30)32)21(31)13-34-22-8-6-17(26)11-19(22)27/h2-11,15H,12-14H2,1H3,(H,29,33)/t15-/m0/s1

InChI Key

ZKFKHMGDYQWHRG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19890509

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

1.807

Water Solubility, LogSw

-2.20

Polar Surface Area

78.198

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V011-5170 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-5170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5170?
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What is the minimum amount of V011-5170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5170
  • 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 V011-5170 available by request