D365-0033 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide

D365-0033 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
D365-0033 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0033
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide

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

D365-0033

Molecular Formula

C17H15ClF3N3O2S (C17 H15 ClF3 N3 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]acetamide

SMILES

O=C(CSC(N1)=NC(CCCC2)=C2C1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C17H15ClF3N3O2S/c18-11-6-5-9(17(19,20)21)7-13(11)22-14(25)8-27-16-23-12-4-2-1-3-10(12)15(26)24-16/h5-7H,1-4,8H2,(H,22,25)(H,23,24,26)

InChI Key

JRMHOEFQTWPBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.92

Polar Surface Area

56.923

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D365-0033 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D365-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0033?
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What is the minimum amount of D365-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0033
  • 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 D365-0033 available by request