V016-6623 Screening compound: 3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V016-6623 Screening compound: 3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V016-6623 Screening compound: 3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6623
3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-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

V016-6623

Molecular Formula

C26H29FN4O3S2 (C26 H29 FN4 O3 S2)

Compound Name

3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(N3CCOCC3)=O)C1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C26H29FN4O3S2/c1-26(2,3)24-22-23(19-5-4-14-35-19)36-16-21(33)30(15-20(32)29-10-12-34-13-11-29)25(22)31(28-24)18-8-6-17(27)7-9-18/h4-9,14,23H,10-13,15-16H2,1-3H3/t23-/m0/s1

InChI Key

BHILRTTZSHUZLO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19978054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.67

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

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.83

Polar Surface Area

55.616

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V016-6623 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V016-6623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6623?
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What is the minimum amount of V016-6623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6623
  • 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 V016-6623 available by request