G808-0675 Screening compound: 4-chloro-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

G808-0675 Screening compound: 4-chloro-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
G808-0675 Screening compound: 4-chloro-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0675
4-chloro-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

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

G808-0675

Molecular Formula

C25H22ClN3O3S (C25 H22 ClN3 O3 S)

Compound Name

4-chloro-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

IUPAC name

4-chloro-N-[5-methyl-2-({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methoxy)phenyl]benzamide

SMILES

Cc(cc1)cc(NC(c(cc2)ccc2Cl)=O)c1OCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C25H22ClN3O3S/c1-15-6-11-21(19(12-15)28-24(31)16-7-9-17(26)10-8-16)32-14-18-13-23(30)29-20-4-2-3-5-22(20)33-25(29)27-18/h6-13H,2-5,14H2,1H3,(H,28,31)

InChI Key

ZFXNBRIHFVNYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.65

Polar Surface Area

56.082

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with G808-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0675?
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What is the minimum amount of G808-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0675
  • 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 G808-0675 available by request