D066-0069 Screening compound: 3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D066-0069 Screening compound: 3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D066-0069 Screening compound: 3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D066-0069
3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-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

D066-0069

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CCC(CC)n(c(N1)c2C(c(cc3)ccc3OC(C)C)SCC1=O)nc2O

InChI

InChI=1S/C20H27N3O3S/c1-5-14(6-2)23-19-17(20(25)22-23)18(27-11-16(24)21-19)13-7-9-15(10-8-13)26-12(3)4/h7-10,12,14,18H,5-6,11H2,1-4H3,(H,21,24)(H,22,25)/t18-/m1/s1

InChI Key

QPSJAJKJWQSERD-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.87

Polar Surface Area

62.381

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D066-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D066-0069?
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What is the minimum amount of D066-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D066-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D066-0069
  • 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 D066-0069 available by request