V027-4506 Screening compound: 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V027-4506 Screening compound: 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V027-4506 Screening compound: 2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4506
2-[1-(4-methoxyphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V027-4506

Molecular Formula

C28H28N4O3S2 (C28 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(c1c(C(c2cccs2)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C28H28N4O3S2/c1-3-15-29-23(33)17-31-24(34)18-37-27(22-10-7-16-36-22)25-26(19-8-5-4-6-9-19)30-32(28(25)31)20-11-13-21(35-2)14-12-20/h4-14,16,27H,3,15,17-18H2,1-2H3,(H,29,33)/t27-/m0/s1

InChI Key

AIMBVENAPXYHCK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19793132

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.770

Water Solubility, LogSw

-4.48

Polar Surface Area

63.171

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V027-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4506?
Check Price and Availability of V027-4506, 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 V027-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4506
  • 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 V027-4506 available by request