V030-0826 Screening compound: 2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V030-0826 Screening compound: 2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V030-0826 Screening compound: 2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0826
2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]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

V030-0826

Molecular Formula

C32H40N4O5S (C32 H40 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c(cc1)cc(OC)c1OC)SC1)c2N(CC(NCC3OCCC3)=O)C1=O)nn2-c1cc(C)ccc1

InChI

InChI=1S/C32H40N4O5S/c1-20-9-7-10-22(15-20)36-31-28(30(34-36)32(2,3)4)29(21-12-13-24(39-5)25(16-21)40-6)42-19-27(38)35(31)18-26(37)33-17-23-11-8-14-41-23/h7,9-10,12-13,15-16,23,29H,8,11,14,17-19H2,1-6H3,(H,33,37)

InChI Key

KMHJFPGOVBGZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793881

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

592.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.55

Polar Surface Area

78.683

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.90

References: we are preparing a list of scientific research reports with V030-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0826?
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What is the minimum amount of V030-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0826
  • 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 V030-0826 available by request