V008-7926 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide

V008-7926 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide
V008-7926 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7926
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide

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

V008-7926

Molecular Formula

C30H28FN3O (C30 H28 FN3 O)

Compound Name

3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-{1-[4-(cyanomethyl)phenyl]-5-(24-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]propanamide

SMILES

Cc(cc1)cc(C)c1-c1ccc(CCC(NCc(cc2)ccc2F)=O)n1-c1ccc(CC#N)cc1

InChI

InChI=1S/C30H28FN3O/c1-21-3-14-28(22(2)19-21)29-15-12-27(34(29)26-10-6-23(7-11-26)17-18-32)13-16-30(35)33-20-24-4-8-25(31)9-5-24/h3-12,14-15,19H,13,16-17,20H2,1-2H3,(H,33,35)

InChI Key

RUABYAXHXZXHFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.34

Polar Surface Area

43.087

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V008-7926 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-7926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7926?
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What is the minimum amount of V008-7926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7926
  • 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 V008-7926 available by request