V008-9842 Screening compound: 6-{3-[(3-chlorobenzoyl)amino]phenyl}-N~7~-(2-methoxyphenyl)-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide

V008-9842 Screening compound: 6-{3-[(3-chlorobenzoyl)amino]phenyl}-N~7~-(2-methoxyphenyl)-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
V008-9842 Screening compound: 6-{3-[(3-chlorobenzoyl)amino]phenyl}-N~7~-(2-methoxyphenyl)-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9842
6-{3-[(3-chlorobenzoyl)amino]phenyl}-N~7~-(2-methoxyphenyl)-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide

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

V008-9842

Molecular Formula

C29H27ClN4O3S (C29 H27 ClN4 O3 S)

Compound Name

6-{3-[(3-chlorobenzoyl)amino]phenyl}-N~7~-(2-methoxyphenyl)-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide

IUPAC name

6-[3-(3-chlorobenzamido)phenyl]-N-(2-methoxyphenyl)-8-methyl-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxamide

SMILES

CC(N=C1SCCCN1C1c2cccc(NC(c3cccc(Cl)c3)=O)c2)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C29H27ClN4O3S/c1-18-25(28(36)33-23-12-3-4-13-24(23)37-2)26(34-14-7-15-38-29(34)31-18)19-8-6-11-22(17-19)32-27(35)20-9-5-10-21(30)16-20/h3-6,8-13,16-17,26H,7,14-15H2,1-2H3,(H,32,35)(H,33,36)/t26-/m0/s1

InChI Key

YCGVPDNMPDAWMG-SANMLTNESA-N

MDL Number (MFCD)

MFCD20009806

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.624

Water Solubility, LogSw

-5.90

Polar Surface Area

65.284

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.69

References: we are preparing a list of scientific research reports with V008-9842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9842?
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What is the minimum amount of V008-9842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9842
  • 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 V008-9842 available by request