V008-7629 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N~1~-(2-methoxyethyl)acetamide

V008-7629 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N~1~-(2-methoxyethyl)acetamide
V008-7629 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N~1~-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7629
2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N~1~-(2-methoxyethyl)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

V008-7629

Molecular Formula

C24H24F2N4O3S (C24 H24 F2 N4 O3 S)

Compound Name

2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N~1~-(2-methoxyethyl)acetamide

IUPAC name

n/a

SMILES

Cn(c(N1CC(NCCOC)=O)c2C(c(ccc(F)c3)c3F)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C24H24F2N4O3S/c1-29-24-21(22(28-29)15-6-4-3-5-7-15)23(17-9-8-16(25)12-18(17)26)34-14-20(32)30(24)13-19(31)27-10-11-33-2/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,27,31)/t23-/m1/s1

InChI Key

PRQUBRZWRSUYAA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19799092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.54

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

2.952

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.42

Polar Surface Area

63.373

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V008-7629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7629?
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What is the minimum amount of V008-7629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7629
  • 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 V008-7629 available by request