V006-9901 Screening compound: 3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V006-9901 Screening compound: 3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V006-9901 Screening compound: 3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-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 V006-9901
3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-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

V006-9901

Molecular Formula

C31H38N4O5S (C31 H38 N4 O5 S)

Compound Name

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

SMILES

CC(C)(C)c(c(C(c(cc1)cc(OC)c1OC)SC1)c2N(CC(N3CCOCC3)=O)C1=O)nn2-c1cc(C)ccc1

InChI

InChI=1S/C31H38N4O5S/c1-20-8-7-9-22(16-20)35-30-27(29(32-35)31(2,3)4)28(21-10-11-23(38-5)24(17-21)39-6)41-19-26(37)34(30)18-25(36)33-12-14-40-15-13-33/h7-11,16-17,28H,12-15,18-19H2,1-6H3/t28-/m1/s1

InChI Key

CEMSRAABSHEOCH-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19793829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.35

Polar Surface Area

69.858

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with V006-9901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9901?
Check Price and Availability of V006-9901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-9901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9901
  • 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 V006-9901 available by request