V030-7784 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V030-7784 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V030-7784 Screening compound: 2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7784
2-[4-(3-fluorophenyl)-1-(4-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)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

V030-7784

Molecular Formula

C32H31FN4O4S (C32 H31 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n(c(N1CC(NCC2OCCC2)=O)c2C(c3cc(F)ccc3)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C32H31FN4O4S/c1-40-25-14-12-24(13-15-25)37-32-29(30(35-37)21-7-3-2-4-8-21)31(22-9-5-10-23(33)17-22)42-20-28(39)36(32)19-27(38)34-18-26-11-6-16-41-26/h2-5,7-10,12-15,17,26,31H,6,11,16,18-20H2,1H3,(H,34,38)

InChI Key

VUUMCXQAGMZZLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19795160

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.43

Polar Surface Area

70.694

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

V030-7784 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V030-7784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7784?
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What is the minimum amount of V030-7784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7784
  • 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 V030-7784 available by request