V004-1665 Screening compound: 2-{5,6-dichloro-2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(furan-2-yl)methyl]propanamide

V004-1665 Screening compound: 2-{5,6-dichloro-2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(furan-2-yl)methyl]propanamide
V004-1665 Screening compound: 2-{5,6-dichloro-2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1665
2-{5,6-dichloro-2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(furan-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

V004-1665

Molecular Formula

C22H18Cl2FN3O2 (C22 H18 Cl2 FN3 O2)

Compound Name

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

IUPAC name

2-{56-dichloro-2-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[(furan-2-yl)methyl]propanamide

SMILES

CC(C(NCc1ccco1)=O)n(c(Cc(cc1)ccc1F)nc1c2)c1cc(Cl)c2Cl

InChI

InChI=1S/C22H18Cl2FN3O2/c1-13(22(29)26-12-16-3-2-8-30-16)28-20-11-18(24)17(23)10-19(20)27-21(28)9-14-4-6-15(25)7-5-14/h2-8,10-11,13H,9,12H2,1H3,(H,26,29)/t13-/m0/s1

InChI Key

SPLJQAYHSYNTQM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27498818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.70

Polar Surface Area

44.001

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V004-1665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1665?
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What is the minimum amount of V004-1665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1665
  • 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 V004-1665 available by request