C202-3821 Screening compound: 3,5-bis(4-chlorophenyl)-9-[(E)-1-(4-chlorophenyl)methylidene]-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine

C202-3821 Screening compound: 3,5-bis(4-chlorophenyl)-9-[(E)-1-(4-chlorophenyl)methylidene]-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
C202-3821 Screening compound: 3,5-bis(4-chlorophenyl)-9-[(E)-1-(4-chlorophenyl)methylidene]-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3821
3,5-bis(4-chlorophenyl)-9-[(E)-1-(4-chlorophenyl)methylidene]-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine

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

C202-3821

Molecular Formula

C29H22Cl3N3S (C29 H22 Cl3 N3 S)

Compound Name

3,5-bis(4-chlorophenyl)-9-[(E)-1-(4-chlorophenyl)methylidene]-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine

IUPAC name

(13E)-68-bis(4-chlorophenyl)-13-[(4-chlorophenyl)methylidene]-11-methyl-4-thia-2711-triazatricyclo[7.4.0.0^{37}]trideca-1(9)25-triene

SMILES

CN(CC1=C2N=C3SC=C(c(cc4)ccc4Cl)N3C1c(cc1)ccc1Cl)C/C2=C\c(cc1)ccc1Cl

InChI

InChI=1S/C29H22Cl3N3S/c1-34-15-21(14-18-2-8-22(30)9-3-18)27-25(16-34)28(20-6-12-24(32)13-7-20)35-26(17-36-29(35)33-27)19-4-10-23(31)11-5-19/h2-14,17,28H,15-16H2,1H3/t28-/m1/s1

InChI Key

XFAQETCWONQQOS-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03678567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.178

Distribution Coefficient, logD

7.134

Water Solubility, LogSw

-7.06

Polar Surface Area

14.982

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with C202-3821 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3821
  • 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 C202-3821 available by request