Y043-6136 Screening compound: (2S)-2-[2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide

Y043-6136 Screening compound: (2S)-2-[2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
Y043-6136 Screening compound: (2S)-2-[2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6136
(2S)-2-[2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]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

Y043-6136

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

(2S)-2-[2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide

IUPAC name

(2S)-2-(24-dioxo-1234-tetrahydroquinazolin-3-yl)-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide

SMILES

CSCCC(C(NCCn1cccc1)=O)N(C(c(cccc1)c1N1)=O)C1=O

InChI

InChI=1S/C19H22N4O3S/c1-27-13-8-16(17(24)20-9-12-22-10-4-5-11-22)23-18(25)14-6-2-3-7-15(14)21-19(23)26/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,20,24)(H,21,26)/t16-/m0/s1

InChI Key

ONQPTHDTJQIQCF-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-3.06

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

Y043-6136 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-6136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6136?
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What is the minimum amount of Y043-6136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6136
  • 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 Y043-6136 available by request