V027-8591 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide

V027-8591 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
V027-8591 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8591
2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-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

V027-8591

Molecular Formula

C33H28ClN5O2S (C33 H28 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n(c(N1CC(NCc2ccncc2)=O)c2C(c(cccc3)c3Cl)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C33H28ClN5O2S/c1-22-11-13-25(14-12-22)39-33-30(31(37-39)24-7-3-2-4-8-24)32(26-9-5-6-10-27(26)34)42-21-29(41)38(33)20-28(40)36-19-23-15-17-35-18-16-23/h2-18,32H,19-21H2,1H3,(H,36,40)/t32-/m1/s1

InChI Key

XMDQUJZOVNKOIJ-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19789121

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.14

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

5.740

Distribution Coefficient, logD

5.737

Water Solubility, LogSw

-5.84

Polar Surface Area

63.924

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with V027-8591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8591?
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What is the minimum amount of V027-8591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8591
  • 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 V027-8591 available by request