V003-3532 Screening compound: N-cyclopropyl-2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanamide

V003-3532 Screening compound: N-cyclopropyl-2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanamide
V003-3532 Screening compound: N-cyclopropyl-2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3532
N-cyclopropyl-2-{5,6-dichloro-2-[(2-fluorophenyl)methyl]-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

V003-3532

Molecular Formula

C22H22Cl2FN3O (C22 H22 Cl2 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(NC1CC1)=O)n(c(Cc(cccc1)c1F)nc1c2)c1cc(Cl)c2Cl

InChI

InChI=1S/C22H22Cl2FN3O/c1-2-5-19(22(29)26-14-8-9-14)28-20-12-16(24)15(23)11-18(20)27-21(28)10-13-6-3-4-7-17(13)25/h3-4,6-7,11-12,14,19H,2,5,8-10H2,1H3,(H,26,29)/t19-/m0/s1

InChI Key

WYDCRJBFSWRXCZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27625655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.102

Distribution Coefficient, logD

6.102

Water Solubility, LogSw

-6.11

Polar Surface Area

35.893

Acid Dissociation Constant (pKa)

12.91

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 V003-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3532?
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What is the minimum amount of V003-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3532
  • 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 V003-3532 available by request