V019-7049 Screening compound: 1-(3,5-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V019-7049 Screening compound: 1-(3,5-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V019-7049 Screening compound: 1-(3,5-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-7049
1-(3,5-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-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

V019-7049

Molecular Formula

C29H31Cl2FN6O (C29 H31 Cl2 FN6 O)

Compound Name

1-(3,5-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(35-dichlorobenzoyl)-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CC(C)CCc1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CCC2)CCN2C(c2cc(Cl)cc(Cl)c2)=O)n1

InChI

InChI=1S/C29H31Cl2FN6O/c1-18(2)5-10-25-33-27(26-19(3)35-38(28(26)34-25)24-8-6-23(32)7-9-24)36-11-4-12-37(14-13-36)29(39)20-15-21(30)17-22(31)16-20/h6-9,15-18H,4-5,10-14H2,1-3H3

InChI Key

FSESABHNMGSSNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862812

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.51

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

7.096

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-6.53

Polar Surface Area

54.753

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V019-7049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-7049?
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What is the minimum amount of V019-7049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-7049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-7049
  • 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 V019-7049 available by request