V019-8791 Screening compound: 1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

V019-8791 Screening compound: 1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane
V019-8791 Screening compound: 1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-8791
1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-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

V019-8791

Molecular Formula

C28H30F2N6O (C28 H30 F2 N6 O)

Compound Name

1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

IUPAC name

1-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-14-diazepane

SMILES

CCCCc1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CCC2)CCN2C(c(cccc2)c2F)=O)n1

InChI

InChI=1S/C28H30F2N6O/c1-3-4-10-24-31-26(25-19(2)33-36(27(25)32-24)21-13-11-20(29)12-14-21)34-15-7-16-35(18-17-34)28(37)22-8-5-6-9-23(22)30/h5-6,8-9,11-14H,3-4,7,10,15-18H2,1-2H3

InChI Key

RDAACDAAUPSGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862464

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.58

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

5.489

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-5.63

Polar Surface Area

54.753

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with V019-8791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-8791?
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What is the minimum amount of V019-8791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-8791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-8791
  • 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 V019-8791 available by request