V004-2280 Screening compound: N-[(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]acetamide

V004-2280 Screening compound: N-[(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]acetamide
V004-2280 Screening compound: N-[(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2280
N-[(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]acetamide

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

V004-2280

Molecular Formula

C26H24F2N2O4 (C26 H24 F2 N2 O4)

Compound Name

N-[(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]acetamide

IUPAC name

N-[(25-difluorophenyl)methyl]-2-(34-dimethoxyphenyl)-N-[(5-methyl-13-benzoxazol-2-yl)methyl]acetamide

SMILES

Cc(cc1)cc2c1oc(CN(Cc(cc(cc1)F)c1F)C(Cc(cc1)cc(OC)c1OC)=O)n2

InChI

InChI=1S/C26H24F2N2O4/c1-16-4-8-22-21(10-16)29-25(34-22)15-30(14-18-13-19(27)6-7-20(18)28)26(31)12-17-5-9-23(32-2)24(11-17)33-3/h4-11,13H,12,14-15H2,1-3H3

InChI Key

PLAYKMJUGHFAGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19962009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.13

Polar Surface Area

47.659

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

V004-2280 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-2280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2280?
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What is the minimum amount of V004-2280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2280
  • 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 V004-2280 available by request