1317-0200 Screening compound: 8-hydroxy-7-({8-hydroxy-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl}(3-nitrophenyl)methyl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one

1317-0200 Screening compound: 8-hydroxy-7-({8-hydroxy-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl}(3-nitrophenyl)methyl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
1317-0200 Screening compound: 8-hydroxy-7-({8-hydroxy-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl}(3-nitrophenyl)methyl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0200
8-hydroxy-7-({8-hydroxy-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl}(3-nitrophenyl)methyl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-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

1317-0200

Molecular Formula

C21H19N5O6S2 (C21 H19 N5 O6 S2)

Compound Name

8-hydroxy-7-({8-hydroxy-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl}(3-nitrophenyl)methyl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one

IUPAC name

8-hydroxy-7-({8-hydroxy-6-oxo-2H3H4H6H-pyrimido[21-b][13]thiazin-7-yl}(3-nitrophenyl)methyl)-2H3H4H6H-pyrimido[21-b][13]thiazin-6-one

SMILES

[O-][N+](c1cccc(C(C(C(N(CCCS2)C2=N2)=O)=C2O)C(C(N(CCCS2)C2=N2)=O)=C2O)c1)=O

InChI

InChI=1S/C21H19N5O6S2/c27-16-14(18(29)24-6-2-8-33-20(24)22-16)13(11-4-1-5-12(10-11)26(31)32)15-17(28)23-21-25(19(15)30)7-3-9-34-21/h1,4-5,10,13,27-28H,2-3,6-9H2

InChI Key

MAPPWCHRTRULKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

-1.591

Water Solubility, LogSw

-2.07

Polar Surface Area

116.924

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1317-0200 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1317-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1317-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0200
  • 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 1317-0200 available by request