D361-1770 Screening compound: 1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D361-1770 Screening compound: 1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D361-1770 Screening compound: 1-(3-chloro-4-methylphenyl)-4-(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 D361-1770
1-(3-chloro-4-methylphenyl)-4-(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

D361-1770

Molecular Formula

C21H20ClN3O2S (C21 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(c1cc(OC)ccc1)SC1)c2NC1=O)nn2-c1cc(Cl)c(C)cc1

InChI

InChI=1S/C21H20ClN3O2S/c1-12-7-8-15(10-17(12)22)25-21-19(13(2)24-25)20(28-11-18(26)23-21)14-5-4-6-16(9-14)27-3/h4-10,20H,11H2,1-3H3,(H,23,26)/t20-/m1/s1

InChI Key

HWIXNSFHRJGJMW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14824997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-5.01

Polar Surface Area

46.966

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D361-1770 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 D361-1770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1770?
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What is the minimum amount of D361-1770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1770
  • 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 D361-1770 available by request