V008-4494 Screening compound: [4-(morpholinocarbonyl)piperidino][(2S)-1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidyl}carbonyl)tetrahydro-1H-pyrrol-2-yl]methanone

V008-4494 Screening compound: [4-(morpholinocarbonyl)piperidino][(2S)-1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidyl}carbonyl)tetrahydro-1H-pyrrol-2-yl]methanone
V008-4494 Screening compound: [4-(morpholinocarbonyl)piperidino][(2S)-1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidyl}carbonyl)tetrahydro-1H-pyrrol-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4494
[4-(morpholinocarbonyl)piperidino][(2S)-1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidyl}carbonyl)tetrahydro-1H-pyrrol-2-yl]methanone

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

V008-4494

Molecular Formula

C26H35F3N6O4 (C26 H35 F3 N6 O4)

Compound Name

[4-(morpholinocarbonyl)piperidino][(2S)-1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidyl}carbonyl)tetrahydro-1H-pyrrol-2-yl]methanone

IUPAC name

4-{1-[(2S)-1-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}pyrrolidine-2-carbonyl]piperidine-4-carbonyl}morpholine

SMILES

O=C([C@H](CCC1)N1C(C(CC1)CCN1c1nccc(C(F)(F)F)n1)=O)N(CC1)CCC1C(N1CCOCC1)=O

InChI

InChI=1S/C26H35F3N6O4/c27-26(28,29)21-3-8-30-25(31-21)34-12-6-19(7-13-34)23(37)35-9-1-2-20(35)24(38)32-10-4-18(5-11-32)22(36)33-14-16-39-17-15-33/h3,8,18-20H,1-2,4-7,9-17H2/t20-/m0/s1

InChI Key

GKDJFBLDAHPBQO-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

1.186

Water Solubility, LogSw

-1.61

Polar Surface Area

79.535

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.08

V008-4494 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-4494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4494?
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What is the minimum amount of V008-4494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4494
  • 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 V008-4494 available by request