V002-4881 Screening compound: 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

V002-4881 Screening compound: 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-fluorophenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
V002-4881 Screening compound: 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-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 V002-4881
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(3-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

V002-4881

Molecular Formula

C27H28ClFN4O2S (C27 H28 ClFN4 O2 S)

Compound Name

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

SMILES

CC(C)(C)c(c(C(c(cccc1)c1Cl)SC1)c2N(CC(NC3CC3)=O)C1=O)nn2-c1cc(F)ccc1

InChI

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

InChI Key

XDECKLMZPPCYSQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19801742

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

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.87

Polar Surface Area

54.824

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 V002-4881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4881?
Check Price and Availability of V002-4881, 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 V002-4881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4881
  • 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 V002-4881 available by request