V021-1547 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V021-1547 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V021-1547 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1547
2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

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

V021-1547

Molecular Formula

C22H29FN4O3S (C22 H29 FN4 O3 S)

Compound Name

2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

IUPAC name

2-[3-tert-butyl-4-(4-fluorophenyl)-1-methyl-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

SMILES

CC(C)(C)c1nn(C)c(N2CC(NCCOC)=O)c1C(c(cc1)ccc1F)SCC2=O

InChI

InChI=1S/C22H29FN4O3S/c1-22(2,3)20-18-19(14-6-8-15(23)9-7-14)31-13-17(29)27(21(18)26(4)25-20)12-16(28)24-10-11-30-5/h6-9,19H,10-13H2,1-5H3,(H,24,28)/t19-/m1/s1

InChI Key

AGZSQRZXSNLBLI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19789254

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.02

Polar Surface Area

63.645

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V021-1547 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 V021-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1547?
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What is the minimum amount of V021-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1547
  • 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 V021-1547 available by request