V010-4593 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-propylacetamide

V010-4593 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-propylacetamide
V010-4593 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-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4593
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-propylacetamide

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

V010-4593

Molecular Formula

C26H32N4O2S2 (C26 H32 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-propylacetamide

IUPAC name

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

SMILES

CCCNC(CN(c1c(C(c2cccs2)SC2)c(C(C)(C)C)nn1-c1ccc(C)cc1)C2=O)=O

InChI

InChI=1S/C26H32N4O2S2/c1-6-13-27-20(31)15-29-21(32)16-34-23(19-8-7-14-33-19)22-24(26(3,4)5)28-30(25(22)29)18-11-9-17(2)10-12-18/h7-12,14,23H,6,13,15-16H2,1-5H3,(H,27,31)/t23-/m0/s1

InChI Key

FFODFFHEQAUUJV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19799095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.7

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

5.203

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-4.95

Polar Surface Area

55.899

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V010-4593 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 V010-4593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4593?
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What is the minimum amount of V010-4593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4593
  • 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 V010-4593 available by request