V025-8231 Screening compound: 3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V025-8231 Screening compound: 3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V025-8231 Screening compound: 3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8231
3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-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

V025-8231

Molecular Formula

C32H31ClN4O3S (C32 H31 ClN4 O3 S)

Compound Name

3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc(cc1)ccc1-n(c(N1CC(N2CCOCC2)=O)c2C(c3c(C)cccc3)SCC1=O)nc2-c(cc1)ccc1Cl

InChI

InChI=1S/C32H31ClN4O3S/c1-21-7-13-25(14-8-21)37-32-29(30(34-37)23-9-11-24(33)12-10-23)31(26-6-4-3-5-22(26)2)41-20-28(39)36(32)19-27(38)35-15-17-40-18-16-35/h3-14,31H,15-20H2,1-2H3/t31-/m1/s1

InChI Key

YZVMSEGBXVOHJR-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD27631469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.842

Distribution Coefficient, logD

5.842

Water Solubility, LogSw

-6.02

Polar Surface Area

54.326

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V025-8231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8231?
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What is the minimum amount of V025-8231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8231
  • 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 V025-8231 available by request