Y043-4444 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-[4-oxo-3(4H)-quinazolinyl]hexanamide

Y043-4444 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-[4-oxo-3(4H)-quinazolinyl]hexanamide
Y043-4444 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-[4-oxo-3(4H)-quinazolinyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4444
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-[4-oxo-3(4H)-quinazolinyl]hexanamide

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

Y043-4444

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-[4-oxo-3(4H)-quinazolinyl]hexanamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxo-34-dihydroquinazolin-3-yl)hexanamide

SMILES

CSCCC(c1nc(cccc2)c2[nH]1)NC(CCCCCN(C=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C25H29N5O2S/c1-33-16-14-22(24-28-20-11-6-7-12-21(20)29-24)27-23(31)13-3-2-8-15-30-17-26-19-10-5-4-9-18(19)25(30)32/h4-7,9-12,17,22H,2-3,8,13-16H2,1H3,(H,27,31)(H,28,29)/t22-/m0/s1

InChI Key

XURRWOQAMCMTFU-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.40

Polar Surface Area

69.710

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y043-4444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4444?
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What is the minimum amount of Y043-4444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4444
  • 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 Y043-4444 available by request