V001-3860 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V001-3860 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V001-3860 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3860
2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)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

V001-3860

Molecular Formula

C26H31ClN4O2S2 (C26 H31 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(CN(c1c(C(c2cscc2)SC2)c(C(C)(C)C)nn1-c1cccc(Cl)c1)C2=O)=O

InChI

InChI=1S/C26H31ClN4O2S2/c1-16(2)12-28-20(32)13-30-21(33)15-35-23(17-9-10-34-14-17)22-24(26(3,4)5)29-31(25(22)30)19-8-6-7-18(27)11-19/h6-11,14,16,23H,12-13,15H2,1-5H3,(H,28,32)/t23-/m0/s1

InChI Key

GFGZYEOFCVGVJR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19795306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-6.09

Polar Surface Area

56.058

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with V001-3860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3860?
Check Price and Availability of V001-3860, 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 V001-3860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3860
  • 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 V001-3860 available by request