V004-6041 Screening compound: N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-[1,1'-biphenyl]-4-carboxamide

V004-6041 Screening compound: N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-[1,1'-biphenyl]-4-carboxamide
V004-6041 Screening compound: N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6041
N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-[1,1'-biphenyl]-4-carboxamide

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

V004-6041

Molecular Formula

C29H22F2N2O2 (C29 H22 F2 N2 O2)

Compound Name

N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-[1,1'-biphenyl]-4-carboxamide

IUPAC name

N-[(25-difluorophenyl)methyl]-N-[(5-methyl-13-benzoxazol-2-yl)methyl]-[11'-biphenyl]-4-carboxamide

SMILES

Cc(cc1)cc2c1oc(CN(Cc(cc(cc1)F)c1F)C(c(cc1)ccc1-c1ccccc1)=O)n2

InChI

InChI=1S/C29H22F2N2O2/c1-19-7-14-27-26(15-19)32-28(35-27)18-33(17-23-16-24(30)12-13-25(23)31)29(34)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-16H,17-18H2,1H3

InChI Key

YDUWZYHFYAZVQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.923

Distribution Coefficient, logD

6.923

Water Solubility, LogSw

-5.82

Polar Surface Area

32.654

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

V004-6041 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-6041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6041?
Check Price and Availability of V004-6041, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-6041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6041
  • 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 V004-6041 available by request