V021-2960 Screening compound: 3-tert-butyl-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V021-2960 Screening compound: 3-tert-butyl-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V021-2960 Screening compound: 3-tert-butyl-1-(4-methoxyphenyl)-4-(2-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 V021-2960
3-tert-butyl-1-(4-methoxyphenyl)-4-(2-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

V021-2960

Molecular Formula

C30H36N4O4S (C30 H36 N4 O4 S)

Compound Name

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

SMILES

CC(C)(C)c(c(C(c1c(C)cccc1)SC1)c2N(CC(N3CCOCC3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C30H36N4O4S/c1-20-8-6-7-9-23(20)27-26-28(30(2,3)4)31-34(21-10-12-22(37-5)13-11-21)29(26)33(25(36)19-39-27)18-24(35)32-14-16-38-17-15-32/h6-13,27H,14-19H2,1-5H3/t27-/m1/s1

InChI Key

CJRBEJPHNPDRIE-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19799739

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

548.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.694

Distribution Coefficient, logD

4.694

Water Solubility, LogSw

-4.30

Polar Surface Area

62.141

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V021-2960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2960?
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What is the minimum amount of V021-2960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2960
  • 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 V021-2960 available by request