V027-8455 Screening compound: 3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V027-8455 Screening compound: 3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V027-8455 Screening compound: 3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8455
3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-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

V027-8455

Molecular Formula

C28H34N4O3S2 (C28 H34 N4 O3 S2)

Compound Name

3-tert-butyl-1-(2,4-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-tert-butyl-1-(24-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(N3CCOCC3)=O)C1=O)nn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C28H34N4O3S2/c1-18-8-9-20(19(2)15-18)32-27-24(26(29-32)28(3,4)5)25(21-7-6-14-36-21)37-17-23(34)31(27)16-22(33)30-10-12-35-13-11-30/h6-9,14-15,25H,10-13,16-17H2,1-5H3/t25-/m0/s1

InChI Key

YJXQSCURDHRSEO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19793794

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.62

Polar Surface Area

55.315

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V027-8455 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V027-8455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8455?
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What is the minimum amount of V027-8455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8455
  • 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 V027-8455 available by request