V010-8856 Screening compound: N-{2-[5-(4-fluorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V010-8856 Screening compound: N-{2-[5-(4-fluorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V010-8856 Screening compound: N-{2-[5-(4-fluorophenyl)-3-(4-nitrophenyl)-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 V010-8856
N-{2-[5-(4-fluorophenyl)-3-(4-nitrophenyl)-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

V010-8856

Molecular Formula

C31H29F4N5O5 (C31 H29 F4 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1C(CN(CCN1CCOCC1)C(c1ccc(C(F)(F)F)cc1)=O)=O)=O

InChI

InChI=1S/C31H29F4N5O5/c32-25-9-3-22(4-10-25)28-19-27(21-5-11-26(12-6-21)40(43)44)36-39(28)29(41)20-38(14-13-37-15-17-45-18-16-37)30(42)23-1-7-24(8-2-23)31(33,34)35/h1-12,28H,13-20H2/t28-/m0/s1

InChI Key

ANRQYMXEVOKAEX-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19803143

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

627.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.603

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.49

Polar Surface Area

88.049

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V010-8856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8856?
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What is the minimum amount of V010-8856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8856
  • 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 V010-8856 available by request