V018-0874 Screening compound: 2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

V018-0874 Screening compound: 2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
V018-0874 Screening compound: 2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0874
2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)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

V018-0874

Molecular Formula

C29H29FN4O3S2 (C29 H29 FN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n(c(N1CC(NCCCOC)=O)c2C(c(cc3)ccc3F)SCC1=O)nc2-c1cccs1

InChI

InChI=1S/C29H29FN4O3S2/c1-19-7-3-4-8-22(19)34-29-26(27(32-34)23-9-5-16-38-23)28(20-10-12-21(30)13-11-20)39-18-25(36)33(29)17-24(35)31-14-6-15-37-2/h3-5,7-13,16,28H,6,14-15,17-18H2,1-2H3,(H,31,35)/t28-/m1/s1

InChI Key

GGRGVEQVVIKBDF-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD27628721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-4.89

Polar Surface Area

63.669

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with V018-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0874?
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What is the minimum amount of V018-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0874
  • 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 V018-0874 available by request