V002-4910 Screening compound: 1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V002-4910 Screening compound: 1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V002-4910 Screening compound: 1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4910
1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V002-4910

Molecular Formula

C33H34N4O4S (C33 H34 N4 O4 S)

Compound Name

1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(23-dimethylphenyl)-4-(2-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc1cccc(-n(c(N2CC(N3CCOCC3)=O)c3C(c(cccc4)c4OC)SCC2=O)nc3-c2ccccc2)c1C

InChI

InChI=1S/C33H34N4O4S/c1-22-10-9-14-26(23(22)2)37-33-30(31(34-37)24-11-5-4-6-12-24)32(25-13-7-8-15-27(25)40-3)42-21-29(39)36(33)20-28(38)35-16-18-41-19-17-35/h4-15,32H,16-21H2,1-3H3/t32-/m1/s1

InChI Key

BMXMHGGHVFVVRM-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19799840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.29

Polar Surface Area

61.655

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with V002-4910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4910?
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What is the minimum amount of V002-4910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4910
  • 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 V002-4910 available by request