V030-3504 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V030-3504 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V030-3504 Screening compound: 2-[4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3504
2-[4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)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

V030-3504

Molecular Formula

C30H29ClN4O4S (C30 H29 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(CN(c1c(C(c(cccc2)c2Cl)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C30H29ClN4O4S/c1-38-17-16-32-25(36)18-34-26(37)19-40-29(23-10-6-7-11-24(23)31)27-28(20-8-4-3-5-9-20)33-35(30(27)34)21-12-14-22(39-2)15-13-21/h3-15,29H,16-19H2,1-2H3,(H,32,36)/t29-/m1/s1

InChI Key

JBHSAFXYAJMIKJ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19789236

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.1

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

4.990

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-5.05

Polar Surface Area

70.495

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V030-3504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3504?
Check Price and Availability of V030-3504, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V030-3504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3504
  • 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 V030-3504 available by request