V020-8702 Screening compound: 2-[3-(tert-butyl)-4-(2-chlorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V020-8702 Screening compound: 2-[3-(tert-butyl)-4-(2-chlorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V020-8702 Screening compound: 2-[3-(tert-butyl)-4-(2-chlorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8702
2-[3-(tert-butyl)-4-(2-chlorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V020-8702

Molecular Formula

C22H29ClN4O2S (C22 H29 ClN4 O2 S)

Compound Name

2-[3-(tert-butyl)-4-(2-chlorophenyl)-1-methyl-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

IUPAC name

2-[3-tert-butyl-4-(2-chlorophenyl)-1-methyl-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(c(cccc2)c2Cl)SC2)c(C(C)(C)C)nn1C)C2=O)=O

InChI

InChI=1S/C22H29ClN4O2S/c1-6-11-24-16(28)12-27-17(29)13-30-19(14-9-7-8-10-15(14)23)18-20(22(2,3)4)25-26(5)21(18)27/h7-10,19H,6,11-13H2,1-5H3,(H,24,28)/t19-/m1/s1

InChI Key

XNCWYMUYRLRMDS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19789020

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.13

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V020-8702 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-8702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8702?
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What is the minimum amount of V020-8702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8702
  • 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 V020-8702 available by request