V003-5402 Screening compound: 1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclopropane-1-carboxamide

V003-5402 Screening compound: 1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclopropane-1-carboxamide
V003-5402 Screening compound: 1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5402
1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclopropane-1-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

V003-5402

Molecular Formula

C21H19ClF2N4O3 (C21 H19 ClF2 N4 O3)

Compound Name

1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclopropane-1-carboxamide

IUPAC name

1-chloro-2-fluoro-N-{3-[5-(4-fluorophenyl)-3-(2-methoxyethoxy)-1H-124-triazol-1-yl]phenyl}cyclopropane-1-carboxamide

SMILES

COCCOc(nc1-c(cc2)ccc2F)nn1-c1cccc(NC(C(C2)(C2F)Cl)=O)c1

InChI

InChI=1S/C21H19ClF2N4O3/c1-30-9-10-31-20-26-18(13-5-7-14(23)8-6-13)28(27-20)16-4-2-3-15(11-16)25-19(29)21(22)12-17(21)24/h2-8,11,17H,9-10,12H2,1H3,(H,25,29)

InChI Key

XOGFVFXDVWRDSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784514

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.39

Polar Surface Area

63.065

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V003-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5402?
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What is the minimum amount of V003-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5402
  • 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 V003-5402 available by request