V017-5768 Screening compound: 1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine

V017-5768 Screening compound: 1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine
V017-5768 Screening compound: 1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5768
1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine

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

V017-5768

Molecular Formula

C28H25FN4O3 (C28 H25 FN4 O3)

Compound Name

1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine

IUPAC name

1-[1-(2-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-4-(4-nitrophenyl)piperazine

SMILES

Cc(n(c(-c1ccccc1)c1)-c(cccc2)c2F)c1C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C28H25FN4O3/c1-20-24(19-27(21-7-3-2-4-8-21)32(20)26-10-6-5-9-25(26)29)28(34)31-17-15-30(16-18-31)22-11-13-23(14-12-22)33(35)36/h2-14,19H,15-18H2,1H3

InChI Key

LBOMUFNQQYMLNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14246039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.56

Polar Surface Area

54.650

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V017-5768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5768?
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What is the minimum amount of V017-5768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5768
  • 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 V017-5768 available by request