V003-3544 Screening compound: 2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-propylpentanamide

V003-3544 Screening compound: 2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-propylpentanamide
V003-3544 Screening compound: 2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3544
2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-propylpentanamide

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

V003-3544

Molecular Formula

C22H24Cl2FN3O (C22 H24 Cl2 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(NCCC)=O)n(c(Cc(cccc1)c1F)nc1c2)c1cc(Cl)c2Cl

InChI

InChI=1S/C22H24Cl2FN3O/c1-3-7-19(22(29)26-10-4-2)28-20-13-16(24)15(23)12-18(20)27-21(28)11-14-8-5-6-9-17(14)25/h5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3,(H,26,29)/t19-/m0/s1

InChI Key

MJLLHDJXHCLNRZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27625657

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

436.36

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

6.360

Distribution Coefficient, logD

6.360

Water Solubility, LogSw

-6.16

Polar Surface Area

35.950

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V003-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3544?
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What is the minimum amount of V003-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3544
  • 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 V003-3544 available by request