4469-0651 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

4469-0651 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
4469-0651 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0651
4-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

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

4469-0651

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

4-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

IUPAC name

4-(34-dimethoxyphenyl)-N-(4-nitrophenyl)-13-thiazol-2-amine

SMILES

COc(ccc(-c1csc(Nc(cc2)ccc2[N+]([O-])=O)n1)c1)c1OC

InChI

InChI=1S/C17H15N3O4S/c1-23-15-8-3-11(9-16(15)24-2)14-10-25-17(19-14)18-12-4-6-13(7-5-12)20(21)22/h3-10H,1-2H3,(H,18,19)

InChI Key

CUXRTRWFWXDJHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.65

Polar Surface Area

67.568

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4469-0651 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4469-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0651?
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What is the minimum amount of 4469-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0651
  • 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 4469-0651 available by request