V001-4098 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-1,4-diazepane

V001-4098 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-1,4-diazepane
V001-4098 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4098
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-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

V001-4098

Molecular Formula

C23H27ClN6O (C23 H27 ClN6 O)

Compound Name

1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-1,4-diazepane

IUPAC name

1-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-cyclobutanecarbonyl-14-diazepane

SMILES

Cc(c1c(N(CCC2)CCN2C(C2CCC2)=O)nc(C)nc11)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C23H27ClN6O/c1-15-20-21(28-11-6-12-29(14-13-28)23(31)17-7-5-8-17)25-16(2)26-22(20)30(27-15)19-10-4-3-9-18(19)24/h3-4,9-10,17H,5-8,11-14H2,1-2H3

InChI Key

WSSBKSYHSMYLAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253270

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.66

Polar Surface Area

53.597

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V001-4098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V001-4098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4098?
Check Price and Availability of V001-4098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-4098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4098
  • 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 V001-4098 available by request