Y044-4973 Screening compound: methyl 5-isopropyl-2-{[3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanoyl]amino}-1,3-thiazole-4-carboxylate

Y044-4973 Screening compound: methyl 5-isopropyl-2-{[3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanoyl]amino}-1,3-thiazole-4-carboxylate
Y044-4973 Screening compound: methyl 5-isopropyl-2-{[3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanoyl]amino}-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4973
methyl 5-isopropyl-2-{[3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanoyl]amino}-1,3-thiazole-4-carboxylate

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

Y044-4973

Molecular Formula

C19H21N3O3S2 (C19 H21 N3 O3 S2)

Compound Name

methyl 5-isopropyl-2-{[3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanoyl]amino}-1,3-thiazole-4-carboxylate

IUPAC name

methyl 5-(propan-2-yl)-2-[3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamido]-13-thiazole-4-carboxylate

SMILES

CC(C)c1c(C(OC)=O)nc(NC(CC(c2cscc2)n2cccc2)=O)s1

InChI

InChI=1S/C19H21N3O3S2/c1-12(2)17-16(18(24)25-3)21-19(27-17)20-15(23)10-14(13-6-9-26-11-13)22-7-4-5-8-22/h4-9,11-12,14H,10H2,1-3H3,(H,20,21,23)/t14-/m0/s1

InChI Key

KNKQYHFXIUXVHJ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.27

Polar Surface Area

59.648

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with Y044-4973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4973?
Check Price and Availability of Y044-4973, 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 Y044-4973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4973
  • 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 Y044-4973 available by request