4112-3561 Screening compound: N4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N1,N1-diethylbenzene-1,4-diamine

4112-3561 Screening compound: N4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N1,N1-diethylbenzene-1,4-diamine
4112-3561 Screening compound: N4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N1,N1-diethylbenzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3561
N4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N1,N1-diethylbenzene-1,4-diamine

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

4112-3561

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

N4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N1,N1-diethylbenzene-1,4-diamine

IUPAC name

N4-[4-(34-dimethoxyphenyl)-13-thiazol-2-yl]-N1N1-diethylbenzene-14-diamine

SMILES

CCN(CC)c(cc1)ccc1Nc1nc(-c(cc2)cc(OC)c2OC)cs1

InChI

InChI=1S/C21H25N3O2S/c1-5-24(6-2)17-10-8-16(9-11-17)22-21-23-18(14-27-21)15-7-12-19(25-3)20(13-15)26-4/h7-14H,5-6H2,1-4H3,(H,22,23)

InChI Key

JBQNVWGNJFLHCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.597

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.58

Polar Surface Area

36.923

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4112-3561 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4112-3561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3561?
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What is the minimum amount of 4112-3561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3561
  • 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 4112-3561 available by request