V021-2905 Screening compound: 1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V021-2905 Screening compound: 1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V021-2905 Screening compound: 1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2905
1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V021-2905

Molecular Formula

C31H29FN4O3S (C31 H29 FN4 O3 S)

Compound Name

1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(4-fluorophenyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

COc1c(C(c(c(-c2ccccc2)nn2-c(cc3)ccc3F)c2N2CC(N3CCCC3)=O)SCC2=O)cccc1

InChI

InChI=1S/C31H29FN4O3S/c1-39-25-12-6-5-11-24(25)30-28-29(21-9-3-2-4-10-21)33-36(23-15-13-22(32)14-16-23)31(28)35(27(38)20-40-30)19-26(37)34-17-7-8-18-34/h2-6,9-16,30H,7-8,17-20H2,1H3/t30-/m1/s1

InChI Key

VZUGJLXXKKHIIZ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19799938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.36

Polar Surface Area

54.414

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V021-2905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2905?
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What is the minimum amount of V021-2905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2905
  • 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 V021-2905 available by request