4593-7515 Screening compound: 6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

4593-7515 Screening compound: 6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4593-7515 Screening compound: 6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7515
6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-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

4593-7515

Molecular Formula

C23H19F3N2O4S (C23 H19 F3 N2 O4 S)

Compound Name

6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

IUPAC name

6-[4-(benzyloxy)phenyl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-13-diazinan-2-one

SMILES

OC(C(C(c(cc1)ccc1OCc1ccccc1)N1)C(c2cccs2)=O)(C(F)(F)F)NC1=O

InChI

InChI=1S/C23H19F3N2O4S/c24-23(25,26)22(31)18(20(29)17-7-4-12-33-17)19(27-21(30)28-22)15-8-10-16(11-9-15)32-13-14-5-2-1-3-6-14/h1-12,18-19,31H,13H2,(H2,27,28,30)

InChI Key

DAEGRKBSSXRRQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.38

Polar Surface Area

74.868

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.70

4593-7515 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4593-7515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7515?
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What is the minimum amount of 4593-7515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7515
  • 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 4593-7515 available by request