G769-0849 Screening compound: 2-{[(4-methoxybenzyl)-4-methylanilino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

G769-0849 Screening compound: 2-{[(4-methoxybenzyl)-4-methylanilino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
G769-0849 Screening compound: 2-{[(4-methoxybenzyl)-4-methylanilino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G769-0849
2-{[(4-methoxybenzyl)-4-methylanilino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-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

G769-0849

Molecular Formula

C26H27N3O2S (C26 H27 N3 O2 S)

Compound Name

2-{[(4-methoxybenzyl)-4-methylanilino]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

11-({[(4-methoxyphenyl)methyl](4-methylphenyl)amino}methyl)-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

Cc(cc1)ccc1N(Cc(cc1)ccc1OC)CC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C26H27N3O2S/c1-18-7-11-21(12-8-18)28(16-19-9-13-22(31-2)14-10-19)17-20-15-25(30)29-23-5-3-4-6-24(23)32-26(29)27-20/h7-15H,3-6,16-17H2,1-2H3

InChI Key

YQGRJMXXJDRFOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15034956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.55

Polar Surface Area

36.662

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G769-0849 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 G769-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G769-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G769-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G769-0849
  • 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 G769-0849 available by request