V015-7411 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

V015-7411 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
V015-7411 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7411
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-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

V015-7411

Molecular Formula

C28H28ClN5O2S2 (C28 H28 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(NCc3cnccc3)=O)C1=O)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C28H28ClN5O2S2/c1-28(2,3)26-24-25(21-10-6-12-37-21)38-17-23(36)33(16-22(35)31-15-18-7-5-11-30-14-18)27(24)34(32-26)20-9-4-8-19(29)13-20/h4-14,25H,15-17H2,1-3H3,(H,31,35)/t25-/m0/s1

InChI Key

SSSQHUBYXPFWCG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19799805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

566.15

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

5.120

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-5.41

Polar Surface Area

65.304

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V015-7411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7411?
Check Price and Availability of V015-7411, 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 V015-7411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7411
  • 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 V015-7411 available by request