V004-6411 Screening compound: 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

V004-6411 Screening compound: 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
V004-6411 Screening compound: 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-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 V004-6411
2-[3-tert-butyl-1-(2,4-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-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

V004-6411

Molecular Formula

C28H37N5O2S2 (C28 H37 N5 O2 S2)

Compound Name

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

IUPAC name

2-[3-tert-butyl-1-(24-dimethylphenyl)-7-oxo-4-(thiophen-2-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(NCCN(C)C)=O)C1=O)nn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C28H37N5O2S2/c1-18-10-11-20(19(2)15-18)33-27-24(26(30-33)28(3,4)5)25(21-9-8-14-36-21)37-17-23(35)32(27)16-22(34)29-12-13-31(6)7/h8-11,14-15,25H,12-13,16-17H2,1-7H3,(H,29,34)/t25-/m0/s1

InChI Key

NPUROHPBKGIZNH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19797331

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-4.53

Polar Surface Area

59.464

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V004-6411 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 V004-6411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6411?
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What is the minimum amount of V004-6411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6411
  • 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 V004-6411 available by request