V030-6149 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V030-6149 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V030-6149 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-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 V030-6149
2-[4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-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

V030-6149

Molecular Formula

C34H27F3N4O2S (C34 H27 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n(c(N2CC(NCc(cc3)ccc3F)=O)c3C(c(ccc(F)c4)c4F)SCC2=O)nc3-c2ccccc2)c1

InChI

InChI=1S/C34H27F3N4O2S/c1-21-6-5-9-26(16-21)41-34-31(32(39-41)23-7-3-2-4-8-23)33(27-15-14-25(36)17-28(27)37)44-20-30(43)40(34)19-29(42)38-18-22-10-12-24(35)13-11-22/h2-17,33H,18-20H2,1H3,(H,38,42)/t33-/m1/s1

InChI Key

GJNQBPKNLHKLEC-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD20499562

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

612.68

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

6.902

Distribution Coefficient, logD

6.902

Water Solubility, LogSw

-5.66

Polar Surface Area

54.496

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.70

References: we are preparing a list of scientific research reports with V030-6149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6149?
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What is the minimum amount of V030-6149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6149
  • 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 V030-6149 available by request