V030-0778 Screening compound: 3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V030-0778 Screening compound: 3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V030-0778 Screening compound: 3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0778
3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V030-0778

Molecular Formula

C30H36N4O2S (C30 H36 N4 O2 S)

Compound Name

3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-tert-butyl-4-(3-methylphenyl)-1-(4-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c(c(C(c1cc(C)ccc1)SC1)c2N(CC(N3CCCC3)=O)C1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C30H36N4O2S/c1-20-11-13-23(14-12-20)34-29-26(28(31-34)30(3,4)5)27(22-10-8-9-21(2)17-22)37-19-25(36)33(29)18-24(35)32-15-6-7-16-32/h8-14,17,27H,6-7,15-16,18-19H2,1-5H3/t27-/m1/s1

InChI Key

DHGJOVSVKPTVKK-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19794940

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

6.224

Water Solubility, LogSw

-5.33

Polar Surface Area

47.055

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V030-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0778?
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What is the minimum amount of V030-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0778
  • 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 V030-0778 available by request