V030-6138 Screening compound: N-[(furan-2-yl)methyl]-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

V030-6138 Screening compound: N-[(furan-2-yl)methyl]-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
V030-6138 Screening compound: N-[(furan-2-yl)methyl]-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6138
N-[(furan-2-yl)methyl]-2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-2-yl)-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

V030-6138

Molecular Formula

C30H26N4O3S2 (C30 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n(c(N1CC(NCc2ccco2)=O)c2C(c3cccs3)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C30H26N4O3S2/c1-20-9-5-6-13-23(20)34-30-27(28(32-34)21-10-3-2-4-11-21)29(24-14-8-16-38-24)39-19-26(36)33(30)18-25(35)31-17-22-12-7-15-37-22/h2-16,29H,17-19H2,1H3,(H,31,35)/t29-/m0/s1

InChI Key

SXLOOHIGZSGLLP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD20499554

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.69

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

5.856

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.53

Polar Surface Area

62.962

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V030-6138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6138?
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What is the minimum amount of V030-6138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6138
  • 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 V030-6138 available by request