V026-4487 Screening compound: N-(butan-2-yl)-2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

V026-4487 Screening compound: N-(butan-2-yl)-2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
V026-4487 Screening compound: N-(butan-2-yl)-2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4487
N-(butan-2-yl)-2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]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

V026-4487

Molecular Formula

C32H33FN4O2S (C32 H33 FN4 O2 S)

Compound Name

N-(butan-2-yl)-2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[1-(24-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]acetamide

SMILES

CCC(C)NC(CN(c1c(C(c(cc2)ccc2F)SC2)c(-c3ccccc3)nn1-c1c(C)cc(C)cc1)C2=O)=O

InChI

InChI=1S/C32H33FN4O2S/c1-5-22(4)34-27(38)18-36-28(39)19-40-31(24-12-14-25(33)15-13-24)29-30(23-9-7-6-8-10-23)35-37(32(29)36)26-16-11-20(2)17-21(26)3/h6-17,22,31H,5,18-19H2,1-4H3,(H,34,38)

InChI Key

PWHOATQNAXABJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789870

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.7

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

6.753

Distribution Coefficient, logD

6.753

Water Solubility, LogSw

-5.58

Polar Surface Area

53.908

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V026-4487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4487?
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What is the minimum amount of V026-4487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4487
  • 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 V026-4487 available by request