V004-4395 Screening compound: 4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V004-4395 Screening compound: 4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V004-4395 Screening compound: 4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4395
4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V004-4395

Molecular Formula

C29H34FN5O3 (C29 H34 FN5 O3)

Compound Name

4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(4-tert-butylphenyl)-6-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CC(C)(C)c1ccc(C(C(C(N(CC(N(CC2)CCN2c(cccc2)c2F)=O)C2)=O)=C2N2C)NC2=O)cc1

InChI

InChI=1S/C29H34FN5O3/c1-29(2,3)20-11-9-19(10-12-20)26-25-23(32(4)28(38)31-26)17-35(27(25)37)18-24(36)34-15-13-33(14-16-34)22-8-6-5-7-21(22)30/h5-12,26H,13-18H2,1-4H3,(H,31,38)/t26-/m1/s1

InChI Key

BWFIJJKLGDDAGZ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19936561

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.59

Polar Surface Area

63.854

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V004-4395 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-4395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4395?
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What is the minimum amount of V004-4395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4395
  • 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 V004-4395 available by request