V007-6411 Screening compound: 2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

V007-6411 Screening compound: 2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
V007-6411 Screening compound: 2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6411
2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-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

V007-6411

Molecular Formula

C33H28FN5O3S (C33 H28 FN5 O3 S)

Compound Name

2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[1-(4-fluorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

COc1c(C(c(c(-c2ccccc2)nn2-c(cc3)ccc3F)c2N2CC(NCc3cnccc3)=O)SCC2=O)cccc1

InChI

InChI=1S/C33H28FN5O3S/c1-42-27-12-6-5-11-26(27)32-30-31(23-9-3-2-4-10-23)37-39(25-15-13-24(34)14-16-25)33(30)38(29(41)21-43-32)20-28(40)36-19-22-8-7-17-35-18-22/h2-18,32H,19-21H2,1H3,(H,36,40)/t32-/m1/s1

InChI Key

LQWMJBWFACEGBS-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19799818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.41

Polar Surface Area

71.644

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with V007-6411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6411?
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What is the minimum amount of V007-6411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6411
  • 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 V007-6411 available by request