V020-3103 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V020-3103 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V020-3103 Screening compound: 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3103
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V020-3103

Molecular Formula

C28H32F2N4O3S (C28 H32 F2 N4 O3 S)

Compound Name

2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

IUPAC name

2-[3-tert-butyl-4-(24-difluorophenyl)-1-(4-methoxyphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(c(ccc(F)c2)c2F)SC2)c(C(C)(C)C)nn1-c(cc1)ccc1OC)C2=O)=O

InChI

InChI=1S/C28H32F2N4O3S/c1-6-13-31-22(35)15-33-23(36)16-38-25(20-12-7-17(29)14-21(20)30)24-26(28(2,3)4)32-34(27(24)33)18-8-10-19(37-5)11-9-18/h7-12,14,25H,6,13,15-16H2,1-5H3,(H,31,35)/t25-/m1/s1

InChI Key

OOMHSIZSGRZZPU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19793197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.32

Polar Surface Area

62.425

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V020-3103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3103?
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What is the minimum amount of V020-3103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3103
  • 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 V020-3103 available by request