V030-5121 Screening compound: 1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

V030-5121 Screening compound: 1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
V030-5121 Screening compound: 1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5121
1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

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

V030-5121

Molecular Formula

C34H41FN6O (C34 H41 FN6 O)

Compound Name

1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

IUPAC name

1-{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}-2-phenylbutan-1-one

SMILES

CCC(C(N(CCC1)CCN1c1c(c(C)nn2-c(cc3)ccc3F)c2nc(CC2CCCCC2)n1)=O)c1ccccc1

InChI

InChI=1S/C34H41FN6O/c1-3-29(26-13-8-5-9-14-26)34(42)40-20-10-19-39(21-22-40)32-31-24(2)38-41(28-17-15-27(35)16-18-28)33(31)37-30(36-32)23-25-11-6-4-7-12-25/h5,8-9,13-18,25,29H,3-4,6-7,10-12,19-23H2,1-2H3/t29-/m1/s1

InChI Key

PSUQQSCMCFSJBI-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19862606

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.502

Distribution Coefficient, logD

6.812

Water Solubility, LogSw

-5.99

Polar Surface Area

54.673

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

V030-5121 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 V030-5121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5121?
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What is the minimum amount of V030-5121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5121
  • 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 V030-5121 available by request