V020-2602 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-hexanone

V020-2602 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-hexanone
V020-2602 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-hexanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2602
1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-hexanone

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

V020-2602

Molecular Formula

C28H39FN6O (C28 H39 FN6 O)

Compound Name

1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-1-hexanone

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H39FN6O/c1-5-6-7-9-25(36)33-16-8-17-34(19-18-33)27-26-21(4)32-35(23-13-11-22(29)12-14-23)28(26)31-24(30-27)15-10-20(2)3/h11-14,20H,5-10,15-19H2,1-4H3

InChI Key

CQOKPLVCVAZLCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.59

Polar Surface Area

54.497

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with V020-2602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2602?
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What is the minimum amount of V020-2602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2602
  • 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 V020-2602 available by request