1186-0107 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-4-phenyl-1,3-thiazole-5-carboxylate

1186-0107 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-4-phenyl-1,3-thiazole-5-carboxylate
1186-0107 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-4-phenyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0107
ethyl 2-(3,5-dinitrobenzamido)-4-phenyl-1,3-thiazole-5-carboxylate

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

1186-0107

Molecular Formula

C19H14N4O7S (C19 H14 N4 O7 S)

Compound Name

ethyl 2-(3,5-dinitrobenzamido)-4-phenyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(35-dinitrobenzamido)-4-phenyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)nc(NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)s1)=O

InChI

InChI=1S/C19H14N4O7S/c1-2-30-18(25)16-15(11-6-4-3-5-7-11)20-19(31-16)21-17(24)12-8-13(22(26)27)10-14(9-12)23(28)29/h3-10H,2H2,1H3,(H,20,21,24)

InChI Key

NSOOUAHTBOFOBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.41

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.28

Polar Surface Area

121.392

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1186-0107 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1186-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0107?
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What is the minimum amount of 1186-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0107
  • 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 1186-0107 available by request