V027-4577 Screening compound: N-cyclopropyl-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]acetamide

V027-4577 Screening compound: N-cyclopropyl-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]acetamide
V027-4577 Screening compound: N-cyclopropyl-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4577
N-cyclopropyl-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]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

V027-4577

Molecular Formula

C28H26N4O3S2 (C28 H26 N4 O3 S2)

Compound Name

N-cyclopropyl-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]acetamide

IUPAC name

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

SMILES

COc(cc1)ccc1-n(c(N1CC(NC2CC2)=O)c2C(c3cccs3)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C28H26N4O3S2/c1-35-21-13-11-20(12-14-21)32-28-25(26(30-32)18-6-3-2-4-7-18)27(22-8-5-15-36-22)37-17-24(34)31(28)16-23(33)29-19-9-10-19/h2-8,11-15,19,27H,9-10,16-17H2,1H3,(H,29,33)/t27-/m0/s1

InChI Key

UHOMKGHSOKXOTN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19793042

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.67

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

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.29

Polar Surface Area

63.115

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V027-4577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4577?
Check Price and Availability of V027-4577, 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 V027-4577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4577
  • 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 V027-4577 available by request