G432-0318 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide

G432-0318 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide
G432-0318 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G432-0318
N~1~-(3,5-dimethylphenyl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]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

G432-0318

Molecular Formula

C21H23N3O2S2 (C21 H23 N3 O2 S2)

Compound Name

N~1~-(3,5-dimethylphenyl)-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}acetamide

IUPAC name

N-(35-dimethylphenyl)-2-[({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methyl)sulfanyl]acetamide

SMILES

Cc1cc(NC(CSCC(N=C2SC(CCCC3)=C3N22)=CC2=O)=O)cc(C)c1

InChI

InChI=1S/C21H23N3O2S2/c1-13-7-14(2)9-15(8-13)22-19(25)12-27-11-16-10-20(26)24-17-5-3-4-6-18(17)28-21(24)23-16/h7-10H,3-6,11-12H2,1-2H3,(H,22,25)

InChI Key

WSOPFSBULLAPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-3.88

Polar Surface Area

49.253

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G432-0318 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 G432-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G432-0318
  • 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 G432-0318 available by request