V013-4636 Screening compound: N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V013-4636 Screening compound: N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V013-4636 Screening compound: N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4636
N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)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

V013-4636

Molecular Formula

C33H35F3N4O4 (C33 H35 F3 N4 O4)

Compound Name

N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

SMILES

Cc1ccc(C(C2)N(C(CN(CCN3CCOCC3)C(c3ccc(C(F)(F)F)cc3)=O)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C33H35F3N4O4/c1-23-3-5-25(6-4-23)30-21-29(24-9-13-28(43-2)14-10-24)37-40(30)31(41)22-39(16-15-38-17-19-44-20-18-38)32(42)26-7-11-27(12-8-26)33(34,35)36/h3-14,30H,15-22H2,1-2H3/t30-/m0/s1

InChI Key

JSNRDZDJWUVMTC-PMERELPUSA-N

MDL Number (MFCD)

MFCD19800629

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

608.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-4.60

Polar Surface Area

62.211

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V013-4636 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V013-4636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4636?
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What is the minimum amount of V013-4636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4636
  • 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 V013-4636 available by request