4112-3727 Screening compound: N4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N1,N1-dimethylbenzene-1,4-diamine

4112-3727 Screening compound: N4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N1,N1-dimethylbenzene-1,4-diamine
4112-3727 Screening compound: N4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N1,N1-dimethylbenzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3727
N4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N1,N1-dimethylbenzene-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

4112-3727

Molecular Formula

C17H16BrN3S (C17 H16 BrN3 S)

Compound Name

N4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N1,N1-dimethylbenzene-1,4-diamine

IUPAC name

N4-[4-(4-bromophenyl)-13-thiazol-2-yl]-N1N1-dimethylbenzene-14-diamine

SMILES

CN(C)c(cc1)ccc1Nc1nc(-c(cc2)ccc2Br)cs1

InChI

InChI=1S/C17H16BrN3S/c1-21(2)15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,20)

InChI Key

YMUWEPBAHWLPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00995955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.210

Distribution Coefficient, logD

6.199

Water Solubility, LogSw

-5.87

Polar Surface Area

21.730

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4112-3727 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4112-3727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3727?
Check Price and Availability of 4112-3727, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4112-3727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3727
  • 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 4112-3727 available by request