D358-0486 Screening compound: N~3~-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

D358-0486 Screening compound: N~3~-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
D358-0486 Screening compound: N~3~-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0486
N~3~-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

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

D358-0486

Molecular Formula

C18H13ClF3N3O2S (C18 H13 ClF3 N3 O2 S)

Compound Name

N~3~-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-triene-12-carboxamide

SMILES

O=C(C1=CN=C2SC(CCCC3)=C3N2C1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C18H13ClF3N3O2S/c19-11-6-5-9(18(20,21)22)7-12(11)24-15(26)10-8-23-17-25(16(10)27)13-3-1-2-4-14(13)28-17/h5-8H,1-4H2,(H,24,26)

InChI Key

XTWCPZXJIBTFLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

-0.075

Water Solubility, LogSw

-4.36

Polar Surface Area

48.017

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D358-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0486?
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What is the minimum amount of D358-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0486
  • 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 D358-0486 available by request