V027-4445 Screening compound: 2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V027-4445 Screening compound: 2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V027-4445 Screening compound: 2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4445
2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)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

V027-4445

Molecular Formula

C33H35ClN4O4S (C33 H35 ClN4 O4 S)

Compound Name

2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

IUPAC name

2-[3-(4-chlorophenyl)-4-(25-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CN(c1c(C(c(cc(cc2)OC)c2OC)SC2)c(-c(cc3)ccc3Cl)nn1-c1ccc(C)cc1)C2=O)=O

InChI

InChI=1S/C33H35ClN4O4S/c1-20(2)17-35-28(39)18-37-29(40)19-43-32(26-16-25(41-4)14-15-27(26)42-5)30-31(22-8-10-23(34)11-9-22)36-38(33(30)37)24-12-6-21(3)7-13-24/h6-16,20,32H,17-19H2,1-5H3,(H,35,39)/t32-/m1/s1

InChI Key

QLCPCPIWRFJGEQ-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD27632259

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

619.18

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.890

Distribution Coefficient, logD

6.890

Water Solubility, LogSw

-6.37

Polar Surface Area

69.942

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with V027-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4445?
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What is the minimum amount of V027-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4445
  • 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 V027-4445 available by request