D066-0073 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D066-0073 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D066-0073 Screening compound: 4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D066-0073
4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-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

D066-0073

Molecular Formula

C17H20FN3O2S (C17 H20 FN3 O2 S)

Compound Name

4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(4-fluorophenyl)-3-hydroxy-1-(pentan-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CCC(CC)n(c(N1)c2C(c(cc3)ccc3F)SCC1=O)nc2O

InChI

InChI=1S/C17H20FN3O2S/c1-3-12(4-2)21-16-14(17(23)20-21)15(24-9-13(22)19-16)10-5-7-11(18)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1

InChI Key

JRDHLCVIYKHMLC-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-3.27

Polar Surface Area

55.578

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D066-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D066-0073?
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What is the minimum amount of D066-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D066-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D066-0073
  • 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 D066-0073 available by request