2435-0157 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

2435-0157 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
2435-0157 Screening compound: 6,8-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2435-0157
6,8-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

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

2435-0157

Molecular Formula

C26H22N4O9S (C26 H22 N4 O9 S)

Compound Name

6,8-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

IUPAC name

68-diethyl (2Z)-5-amino-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-68-dicarboxylate

SMILES

CCOC(C(C(c1cc([N+]([O-])=O)ccc1)C(C(OCC)=O)=C(N)N1C2=O)=C1S/C2=C\c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C26H22N4O9S/c1-3-38-25(32)20-19(15-8-6-10-17(13-15)30(36)37)21(26(33)39-4-2)24-28(22(20)27)23(31)18(40-24)12-14-7-5-9-16(11-14)29(34)35/h5-13,19H,3-4,27H2,1-2H3/t19-/m0/s1

InChI Key

NEMROETYZCNIPI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01557240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.55

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.24

Polar Surface Area

144.560

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2435-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2435-0157?
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What is the minimum amount of 2435-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2435-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2435-0157
  • 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 2435-0157 available by request