V007-9031 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

V007-9031 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
V007-9031 Screening compound: 2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9031
2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]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

V007-9031

Molecular Formula

C27H27FN4O3S2 (C27 H27 FN4 O3 S2)

Compound Name

2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[3-tert-butyl-1-(4-fluorophenyl)-7-oxo-4-(thiophen-2-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(NCc3ccco3)=O)C1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C27H27FN4O3S2/c1-27(2,3)25-23-24(20-7-5-13-36-20)37-16-22(34)31(15-21(33)29-14-19-6-4-12-35-19)26(23)32(30-25)18-10-8-17(28)9-11-18/h4-13,24H,14-16H2,1-3H3,(H,29,33)/t24-/m0/s1

InChI Key

MEQXBSCFNULKDJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19793465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.492

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.32

Polar Surface Area

63.535

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V007-9031 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 V007-9031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9031?
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What is the minimum amount of V007-9031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9031
  • 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 V007-9031 available by request