Y042-4537 Screening compound: 2-[acetyl(isobutyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

Y042-4537 Screening compound: 2-[acetyl(isobutyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
Y042-4537 Screening compound: 2-[acetyl(isobutyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4537
2-[acetyl(isobutyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-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

Y042-4537

Molecular Formula

C14H18N4O2S2 (C14 H18 N4 O2 S2)

Compound Name

2-[acetyl(isobutyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

IUPAC name

4-methyl-2-[N-(2-methylpropyl)acetamido]-N-(13-thiazol-2-yl)-13-thiazole-5-carboxamide

SMILES

CC(C)CN(C(C)=O)c1nc(C)c(C(Nc2nccs2)=O)s1

InChI

InChI=1S/C14H18N4O2S2/c1-8(2)7-18(10(4)19)14-16-9(3)11(22-14)12(20)17-13-15-5-6-21-13/h5-6,8H,7H2,1-4H3,(H,15,17,20)

InChI Key

VWUPLMFQQZWXSQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.23

Polar Surface Area

60.567

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with Y042-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4537?
Check Price and Availability of Y042-4537, 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 Y042-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4537
  • 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 Y042-4537 available by request