V031-0255 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane

V031-0255 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane
V031-0255 Screening compound: 1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0255
1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane

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

V031-0255

Molecular Formula

C33H31F3N6O (C33 H31 F3 N6 O)

Compound Name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane

IUPAC name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-[4-(trifluoromethyl)benzoyl]-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CCC1)CCN1C(c1ccc(C(F)(F)F)cc1)=O)nn2-c1ccccc1

InChI

InChI=1S/C33H31F3N6O/c1-22-9-11-24(12-10-22)21-28-37-30(29-23(2)39-42(31(29)38-28)27-7-4-3-5-8-27)40-17-6-18-41(20-19-40)32(43)25-13-15-26(16-14-25)33(34,35)36/h3-5,7-16H,6,17-21H2,1-2H3

InChI Key

XIWOTMCVGJFUKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857328

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.601

Distribution Coefficient, logD

6.499

Water Solubility, LogSw

-6.03

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V031-0255 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 V031-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0255?
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What is the minimum amount of V031-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0255
  • 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 V031-0255 available by request