V020-2083 Screening compound: 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

V020-2083 Screening compound: 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
V020-2083 Screening compound: 2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2083
2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

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

V020-2083

Molecular Formula

C31H40N4O6S (C31 H40 N4 O6 S)

Compound Name

2-[3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

IUPAC name

2-[3-tert-butyl-4-(25-dimethoxyphenyl)-1-(4-methoxyphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

SMILES

CC(C)(C)c(c(C(c(cc(cc1)OC)c1OC)SC1)c2N(CC(NCCCOC)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C31H40N4O6S/c1-31(2,3)29-27-28(23-17-22(40-6)13-14-24(23)41-7)42-19-26(37)34(18-25(36)32-15-8-16-38-4)30(27)35(33-29)20-9-11-21(39-5)12-10-20/h9-14,17,28H,8,15-16,18-19H2,1-7H3,(H,32,36)/t28-/m1/s1

InChI Key

FNPWSOIFPTUXCN-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19799673

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

596.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.62

Polar Surface Area

85.941

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

V020-2083 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 V020-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2083?
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What is the minimum amount of V020-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2083
  • 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 V020-2083 available by request