V020-3079 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-(2-methoxyethyl)acetamide

V020-3079 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-(2-methoxyethyl)acetamide
V020-3079 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-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3079
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-(2-methoxyethyl)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

V020-3079

Molecular Formula

C28H32F2N4O4S (C28 H32 F2 N4 O4 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-(2-methoxyethyl)acetamide

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c(ccc(F)c1)c1F)SC1)c2N(CC(NCCOC)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C28H32F2N4O4S/c1-28(2,3)26-24-25(20-11-6-17(29)14-21(20)30)39-16-23(36)33(15-22(35)31-12-13-37-4)27(24)34(32-26)18-7-9-19(38-5)10-8-18/h6-11,14,25H,12-13,15-16H2,1-5H3,(H,31,35)/t25-/m1/s1

InChI Key

XAKBCXSJLFYMHH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19789404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.688

Distribution Coefficient, logD

4.688

Water Solubility, LogSw

-4.43

Polar Surface Area

70.767

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V020-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3079?
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What is the minimum amount of V020-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3079
  • 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 V020-3079 available by request