V008-1905 Screening compound: 2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V008-1905 Screening compound: 2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V008-1905 Screening compound: 2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-1905
2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(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

V008-1905

Molecular Formula

C30H32N4O3S2 (C30 H32 N4 O3 S2)

Compound Name

2-[1-(2,4-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

IUPAC name

2-[1-(24-dimethylphenyl)-4-(3-methylthiophen-2-yl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

SMILES

Cc1c(C(c(c(-c2ccccc2)nn2-c3c(C)cc(C)cc3)c2N2CC(NCCOC)=O)SCC2=O)scc1

InChI

InChI=1S/C30H32N4O3S2/c1-19-10-11-23(21(3)16-19)34-30-26(27(32-34)22-8-6-5-7-9-22)29(28-20(2)12-15-38-28)39-18-25(36)33(30)17-24(35)31-13-14-37-4/h5-12,15-16,29H,13-14,17-18H2,1-4H3,(H,31,35)/t29-/m0/s1

InChI Key

IMKIOACSVCZXPO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19793070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.724

Water Solubility, LogSw

-5.37

Polar Surface Area

63.669

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V008-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-1905?
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What is the minimum amount of V008-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-1905
  • 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 V008-1905 available by request