V027-5103 Screening compound: N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}pentanamide

V027-5103 Screening compound: N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}pentanamide
V027-5103 Screening compound: N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5103
N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}pentanamide

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

V027-5103

Molecular Formula

C28H29F2N3O (C28 H29 F2 N3 O)

Compound Name

N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-1-yl}pentanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{2-[(4-fluorophenyl)methyl]-56-dimethyl-1H-13-benzodiazol-1-yl}pentanamide

SMILES

CCCC(C(NCc(cc1)ccc1F)=O)n1c(cc(C)c(C)c2)c2nc1Cc(cc1)ccc1F

InChI

InChI=1S/C28H29F2N3O/c1-4-5-25(28(34)31-17-21-8-12-23(30)13-9-21)33-26-15-19(3)18(2)14-24(26)32-27(33)16-20-6-10-22(29)11-7-20/h6-15,25H,4-5,16-17H2,1-3H3,(H,31,34)/t25-/m0/s1

InChI Key

QZWWNWRQNYEKOA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19785637

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.366

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-5.52

Polar Surface Area

35.837

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V027-5103 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 V027-5103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5103?
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What is the minimum amount of V027-5103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5103
  • 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 V027-5103 available by request