1313-0184 Screening compound: 2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

1313-0184 Screening compound: 2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
1313-0184 Screening compound: 2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0184
2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-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

1313-0184

Molecular Formula

C17H14N4O4S (C17 H14 N4 O4 S)

Compound Name

2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

IUPAC name

2-amino-N-(3-methoxyphenyl)-4-(4-nitrophenyl)-13-thiazole-5-carboxamide

SMILES

COc1cccc(NC(c2c(-c(cc3)ccc3[N+]([O-])=O)nc(N)s2)=O)c1

InChI

InChI=1S/C17H14N4O4S/c1-25-13-4-2-3-11(9-13)19-16(22)15-14(20-17(18)26-15)10-5-7-12(8-6-10)21(23)24/h2-9H,1H3,(H2,18,20)(H,19,22)

InChI Key

QFLGMNLVNOCKGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-4.00

Polar Surface Area

95.557

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1313-0184 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 1313-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0184?
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What is the minimum amount of 1313-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0184
  • 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 1313-0184 available by request