V015-1989 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V015-1989 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V015-1989 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1989
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

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

V015-1989

Molecular Formula

C31H28N4O4S (C31 H28 N4 O4 S)

Compound Name

2-[4-(2H-1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-1-(2-methylphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-cyclopropylacetamide

SMILES

Cc(cccc1)c1-n(c(N1CC(NC2CC2)=O)c2C(c(cc3)cc4c3OCO4)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C31H28N4O4S/c1-19-7-5-6-10-23(19)35-31-28(29(33-35)20-8-3-2-4-9-20)30(21-11-14-24-25(15-21)39-18-38-24)40-17-27(37)34(31)16-26(36)32-22-12-13-22/h2-11,14-15,22,30H,12-13,16-18H2,1H3,(H,32,36)/t30-/m1/s1

InChI Key

KWNKBUSYFQVVKR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19795319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-5.42

Polar Surface Area

71.367

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V015-1989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1989?
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What is the minimum amount of V015-1989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1989
  • 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 V015-1989 available by request