V018-0825 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide

V018-0825 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide
V018-0825 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0825
2-[4-(2,4-difluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-3-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

V018-0825

Molecular Formula

C31H25F2N5O2S2 (C31 H25 F2 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n(c(N1CC(NCc2cnccc2)=O)c2C(c(ccc(F)c3)c3F)SCC1=O)nc2-c1cccs1

InChI

InChI=1S/C31H25F2N5O2S2/c1-19-6-2-3-8-24(19)38-31-28(29(36-38)25-9-5-13-41-25)30(22-11-10-21(32)14-23(22)33)42-18-27(40)37(31)17-26(39)35-16-20-7-4-12-34-15-20/h2-15,30H,16-18H2,1H3,(H,35,39)/t30-/m1/s1

InChI Key

HZOUAGHXNHCKMP-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD27628699

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.7

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

5.591

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.12

Polar Surface Area

64.732

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with V018-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0825?
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What is the minimum amount of V018-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0825
  • 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 V018-0825 available by request