V021-2985 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V021-2985 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V021-2985 Screening compound: 2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2985
2-[3-tert-butyl-4-(3-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]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

V021-2985

Molecular Formula

C32H32F2N4O2S (C32 H32 F2 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cc(F)ccc1)SC1)c2N(CC(NCc(cc3)ccc3F)=O)C1=O)nn2-c1c(C)cccc1

InChI

InChI=1S/C32H32F2N4O2S/c1-20-8-5-6-11-25(20)38-31-28(30(36-38)32(2,3)4)29(22-9-7-10-24(34)16-22)41-19-27(40)37(31)18-26(39)35-17-21-12-14-23(33)15-13-21/h5-16,29H,17-19H2,1-4H3,(H,35,39)/t29-/m1/s1

InChI Key

LTKALGPXVMXDNG-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19805531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.69

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

6.631

Distribution Coefficient, logD

6.631

Water Solubility, LogSw

-5.64

Polar Surface Area

54.467

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V021-2985 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V021-2985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2985
  • 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 V021-2985 available by request