Y042-4417 Screening compound: 2-(isopropylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

Y042-4417 Screening compound: 2-(isopropylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
Y042-4417 Screening compound: 2-(isopropylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4417
2-(isopropylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,3-thiazole-4-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

Y042-4417

Molecular Formula

C16H18N6OS (C16 H18 N6 OS)

Compound Name

2-(isopropylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-[(propan-2-yl)amino]-N-{4-[(1H-124-triazol-1-yl)methyl]phenyl}-13-thiazole-4-carboxamide

SMILES

CC(C)Nc1nc(C(Nc2ccc(Cn3ncnc3)cc2)=O)cs1

InChI

InChI=1S/C16H18N6OS/c1-11(2)19-16-21-14(8-24-16)15(23)20-13-5-3-12(4-6-13)7-22-10-17-9-18-22/h3-6,8-11H,7H2,1-2H3,(H,19,21)(H,20,23)

InChI Key

ZXDTWNXVLTUGSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16625823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.76

Polar Surface Area

67.833

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y042-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4417?
Check Price and Availability of Y042-4417, 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 Y042-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4417
  • 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 Y042-4417 available by request