V020-3887 Screening compound: 2-[4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

V020-3887 Screening compound: 2-[4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
V020-3887 Screening compound: 2-[4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3887
2-[4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)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

V020-3887

Molecular Formula

C32H34N4O4S (C32 H34 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n(c(N1CC(NCCCOC)=O)c2C(c(cccc3)c3OC)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C32H34N4O4S/c1-22-14-16-24(17-15-22)36-32-29(30(34-36)23-10-5-4-6-11-23)31(25-12-7-8-13-26(25)40-3)41-21-28(38)35(32)20-27(37)33-18-9-19-39-2/h4-8,10-17,31H,9,18-21H2,1-3H3,(H,33,37)/t31-/m1/s1

InChI Key

DXXSVOQFMQELBH-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19791149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-4.95

Polar Surface Area

70.582

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V020-3887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3887?
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What is the minimum amount of V020-3887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3887
  • 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 V020-3887 available by request