D361-1526 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D361-1526 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D361-1526 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1526
1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-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

D361-1526

Molecular Formula

C20H18ClN3O3S (C20 H18 ClN3 O3 S)

Compound Name

1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc(c(C(c(cc1)cc(OC)c1O)SC1)c2NC1=O)nn2-c1cccc(Cl)c1

InChI

InChI=1S/C20H18ClN3O3S/c1-11-18-19(12-6-7-15(25)16(8-12)27-2)28-10-17(26)22-20(18)24(23-11)14-5-3-4-13(21)9-14/h3-9,19,25H,10H2,1-2H3,(H,22,26)/t19-/m1/s1

InChI Key

FQWYIHXRKLFZEB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27581879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.89

Polar Surface Area

63.601

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D361-1526 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D361-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1526?
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What is the minimum amount of D361-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1526
  • 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 D361-1526 available by request