Y044-3657 Screening compound: 5-isobutyl-2-{[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino}-1,3-thiazole-4-carboxylic acid

Y044-3657 Screening compound: 5-isobutyl-2-{[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino}-1,3-thiazole-4-carboxylic acid
Y044-3657 Screening compound: 5-isobutyl-2-{[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino}-1,3-thiazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3657
5-isobutyl-2-{[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino}-1,3-thiazole-4-carboxylic acid

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

Y044-3657

Molecular Formula

C15H18N4O4S2 (C15 H18 N4 O4 S2)

Compound Name

5-isobutyl-2-{[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino}-1,3-thiazole-4-carboxylic acid

IUPAC name

5-(2-methylpropyl)-2-{3-[(13-thiazol-2-yl)carbamoyl]propanamido}-13-thiazole-4-carboxylic acid

SMILES

CC(C)Cc1c(C(O)=O)nc(NC(CCC(Nc2nccs2)=O)=O)s1

InChI

InChI=1S/C15H18N4O4S2/c1-8(2)7-9-12(13(22)23)19-15(25-9)18-11(21)4-3-10(20)17-14-16-5-6-24-14/h5-6,8H,3-4,7H2,1-2H3,(H,22,23)(H,16,17,20)(H,18,19,21)

InChI Key

DTRSEBFNFNDLQF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

-0.970

Water Solubility, LogSw

-2.36

Polar Surface Area

95.969

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y044-3657 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-3657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3657?
Check Price and Availability of Y044-3657, 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 Y044-3657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3657
  • 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 Y044-3657 available by request