V015-3793 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V015-3793 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V015-3793 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3793
2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

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

V015-3793

Molecular Formula

C26H30N4O2S2 (C26 H30 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C26H30N4O2S2/c1-16-7-11-18(12-8-16)30-25-22(24(28-30)26(2,3)4)23(19-6-5-13-33-19)34-15-21(32)29(25)14-20(31)27-17-9-10-17/h5-8,11-13,17,23H,9-10,14-15H2,1-4H3,(H,27,31)/t23-/m0/s1

InChI Key

LCHJEDOIPLTQKB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19793194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.55

Polar Surface Area

55.842

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V015-3793 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 V015-3793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3793?
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What is the minimum amount of V015-3793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3793
  • 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 V015-3793 available by request