G808-0701 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenoxypropanamide

G808-0701 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenoxypropanamide
G808-0701 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0701
N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenoxypropanamide

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

G808-0701

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cc(C)cc1)c1OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O)Oc1ccccc1

InChI

InChI=1S/C27H27N3O4S/c1-17-12-13-23(21(14-17)29-26(32)18(2)34-20-8-4-3-5-9-20)33-16-19-15-25(31)30-22-10-6-7-11-24(22)35-27(30)28-19/h3-5,8-9,12-15,18H,6-7,10-11,16H2,1-2H3,(H,29,32)/t18-/m0/s1

InChI Key

GPSQGFFHEJFRGD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27162424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.25

Polar Surface Area

62.872

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with G808-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0701?
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What is the minimum amount of G808-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0701
  • 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 G808-0701 available by request