V020-3046 Screening compound: 2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

V020-3046 Screening compound: 2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
V020-3046 Screening compound: 2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3046
2-[1,3-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]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

V020-3046

Molecular Formula

C27H41N5O3S (C27 H41 N5 O3 S)

Compound Name

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

IUPAC name

2-[13-di-tert-butyl-4-(2-methoxyphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

SMILES

CC(C)(C)c1nn(C(C)(C)C)c(N2CC(NCCN(C)C)=O)c1C(c(cccc1)c1OC)SCC2=O

InChI

InChI=1S/C27H41N5O3S/c1-26(2,3)24-22-23(18-12-10-11-13-19(18)35-9)36-17-21(34)31(16-20(33)28-14-15-30(7)8)25(22)32(29-24)27(4,5)6/h10-13,23H,14-17H2,1-9H3,(H,28,33)/t23-/m1/s1

InChI Key

XTSUVWHQDVGUJZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19795125

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

2.510

Water Solubility, LogSw

-3.96

Polar Surface Area

67.344

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

V020-3046 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V020-3046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3046?
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What is the minimum amount of V020-3046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3046
  • 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 V020-3046 available by request