4593-7507 Screening compound: 4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

4593-7507 Screening compound: 4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
4593-7507 Screening compound: 4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3-diazinan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7507
4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-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

4593-7507

Molecular Formula

C17H12F6N2O3S (C17 H12 F6 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(C(C(c1ccc(C(F)(F)F)cc1)N1)C(c2cccs2)=O)(C(F)(F)F)NC1=O

InChI

InChI=1S/C17H12F6N2O3S/c18-16(19,20)9-5-3-8(4-6-9)12-11(13(26)10-2-1-7-29-10)15(28,17(21,22)23)25-14(27)24-12/h1-7,11-12,28H,(H2,24,25,27)

InChI Key

UIUBIZQIHWQRLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-3.92

Polar Surface Area

67.641

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4593-7507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7507?
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What is the minimum amount of 4593-7507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7507
  • 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 4593-7507 available by request