V030-0813 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V030-0813 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V030-0813 Screening compound: 2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0813
2-[3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)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

V030-0813

Molecular Formula

C30H38N4O2S (C30 H38 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(CN(c1c(C(c2cc(C)ccc2)SC2)c(C(C)(C)C)nn1-c1ccc(C)cc1)C2=O)=O

InChI

InChI=1S/C30H38N4O2S/c1-19(2)16-31-24(35)17-33-25(36)18-37-27(22-10-8-9-21(4)15-22)26-28(30(5,6)7)32-34(29(26)33)23-13-11-20(3)12-14-23/h8-15,19,27H,16-18H2,1-7H3,(H,31,35)/t27-/m1/s1

InChI Key

VRQIJRWYTBHTOD-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19795044

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.72

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

6.583

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-5.52

Polar Surface Area

55.039

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V030-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0813?
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What is the minimum amount of V030-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0813
  • 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 V030-0813 available by request