V010-7603 Screening compound: 2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V010-7603 Screening compound: 2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V010-7603 Screening compound: 2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7603
2-[1-(2,4-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-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

V010-7603

Molecular Formula

C31H32N4O3S2 (C31 H32 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1-n(c(N1CC(NCC2OCCC2)=O)c2C(c3cscc3)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C31H32N4O3S2/c1-20-10-11-25(21(2)15-20)35-31-28(29(33-35)22-7-4-3-5-8-22)30(23-12-14-39-18-23)40-19-27(37)34(31)17-26(36)32-16-24-9-6-13-38-24/h3-5,7-8,10-12,14-15,18,24,30H,6,9,13,16-17,19H2,1-2H3,(H,32,36)

InChI Key

DPEAKOSUZJLHNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.75

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

5.364

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-5.27

Polar Surface Area

63.868

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V010-7603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7603?
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What is the minimum amount of V010-7603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7603
  • 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 V010-7603 available by request