V003-4648 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V003-4648 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V003-4648 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4648
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

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

V003-4648

Molecular Formula

C27H28ClFN4O2S (C27 H28 ClFN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c(cccc1)c1F)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c(cccc1)c1Cl

InChI

InChI=1S/C27H28ClFN4O2S/c1-27(2,3)25-23-24(17-8-4-6-10-19(17)29)36-15-22(35)32(14-21(34)30-16-12-13-16)26(23)33(31-25)20-11-7-5-9-18(20)28/h4-11,16,24H,12-15H2,1-3H3,(H,30,34)/t24-/m1/s1

InChI Key

ZDYKVGOGDYAARV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19793482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.79

Polar Surface Area

54.523

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V003-4648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4648?
Check Price and Availability of V003-4648, 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 V003-4648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4648
  • 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 V003-4648 available by request