V030-0841 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

V030-0841 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
V030-0841 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-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 V030-0841
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-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

V030-0841

Molecular Formula

C31H28F2N4O3S (C31 H28 F2 N4 O3 S)

Compound Name

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

IUPAC name

2-[4-(24-difluorophenyl)-7-oxo-13-diphenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(CN(c1c(C(c(ccc(F)c2)c2F)SC2)c(-c3ccccc3)nn1-c1ccccc1)C2=O)NCC1OCCC1

InChI

InChI=1S/C31H28F2N4O3S/c32-21-13-14-24(25(33)16-21)30-28-29(20-8-3-1-4-9-20)35-37(22-10-5-2-6-11-22)31(28)36(27(39)19-41-30)18-26(38)34-17-23-12-7-15-40-23/h1-6,8-11,13-14,16,23,30H,7,12,15,17-19H2,(H,34,38)

InChI Key

UOTDRTGWFBKYIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789119

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.60

Polar Surface Area

63.151

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V030-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0841?
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What is the minimum amount of V030-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0841
  • 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 V030-0841 available by request