V020-7810 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V020-7810 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V020-7810 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7810
2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,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

V020-7810

Molecular Formula

C25H29FN4O2S2 (C25 H29 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(c1c(C(c2cscc2)SC2)c(C(C)(C)C)nn1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C25H29FN4O2S2/c1-5-11-27-19(31)13-29-20(32)15-34-22(16-10-12-33-14-16)21-23(25(2,3)4)28-30(24(21)29)18-8-6-17(26)7-9-18/h6-10,12,14,22H,5,11,13,15H2,1-4H3,(H,27,31)/t22-/m0/s1

InChI Key

XLOAQWOPNIDUSJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19788660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.48

Polar Surface Area

55.899

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V020-7810 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-7810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7810?
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What is the minimum amount of V020-7810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7810
  • 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 V020-7810 available by request