V006-5745 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

V006-5745 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide
V006-5745 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5745
N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

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

V006-5745

Molecular Formula

C28H27ClFN3O4 (C28 H27 ClFN3 O4)

Compound Name

N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

IUPAC name

N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

SMILES

COCCN(CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cc(OC)ccc1)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C28H27ClFN3O4/c1-36-14-13-32(28(35)20-8-5-9-21(30)15-20)18-27(34)33-26(23-11-3-4-12-24(23)29)17-25(31-33)19-7-6-10-22(16-19)37-2/h3-12,15-16,26H,13-14,17-18H2,1-2H3/t26-/m0/s1

InChI Key

IUECRPHAAGPCQP-SANMLTNESA-N

MDL Number (MFCD)

MFCD19811179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.96

Polar Surface Area

58.934

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V006-5745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5745?
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What is the minimum amount of V006-5745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5745
  • 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 V006-5745 available by request