V028-1064 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V028-1064 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V028-1064 Screening compound: 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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 V028-1064
2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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

V028-1064

Molecular Formula

C30H37ClN4O2S (C30 H37 ClN4 O2 S)

Compound Name

2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-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-chlorophenyl)-1-(23-dimethylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CN(c1c(C(c2cccc(Cl)c2)SC2)c(C(C)(C)C)nn1-c1c(C)c(C)ccc1)C2=O)=O

InChI

InChI=1S/C30H37ClN4O2S/c1-18(2)15-32-24(36)16-34-25(37)17-38-27(21-11-9-12-22(31)14-21)26-28(30(5,6)7)33-35(29(26)34)23-13-8-10-19(3)20(23)4/h8-14,18,27H,15-17H2,1-7H3,(H,32,36)/t27-/m1/s1

InChI Key

SVROZHGQHFSZEA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19792427

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.17

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

7.119

Distribution Coefficient, logD

7.119

Water Solubility, LogSw

-6.28

Polar Surface Area

54.738

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 V028-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1064?
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What is the minimum amount of V028-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1064
  • 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 V028-1064 available by request