Y043-5730 Screening compound: (2S)-N~1~-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

Y043-5730 Screening compound: (2S)-N~1~-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Y043-5730 Screening compound: (2S)-N~1~-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5730
(2S)-N~1~-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

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

Y043-5730

Molecular Formula

C15H20N4O2S2 (C15 H20 N4 O2 S2)

Compound Name

(2S)-N~1~-{4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

IUPAC name

(2S)-N-{4-[(methylcarbamoyl)methyl]-13-thiazol-2-yl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

SMILES

CNC(Cc1csc(NC(C(CCSC)n2cccc2)=O)n1)=O

InChI

InChI=1S/C15H20N4O2S2/c1-16-13(20)9-11-10-23-15(17-11)18-14(21)12(5-8-22-2)19-6-3-4-7-19/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H,16,20)(H,17,18,21)/t12-/m0/s1

InChI Key

UQOVYAUZBNLGPG-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.912

Water Solubility, LogSw

-2.41

Polar Surface Area

62.287

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y043-5730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5730?
Check Price and Availability of Y043-5730, 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 Y043-5730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5730
  • 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 Y043-5730 available by request