Y042-6733 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide

Y042-6733 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide
Y042-6733 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6733
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide

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

Y042-6733

Molecular Formula

C21H25N3OS (C21 H25 N3 OS)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-4-phenylbutanamide

SMILES

CSCCC(c1nc(cccc2)c2[nH]1)NC(CCCc1ccccc1)=O

InChI

InChI=1S/C21H25N3OS/c1-26-15-14-19(21-23-17-11-5-6-12-18(17)24-21)22-20(25)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,19H,7,10,13-15H2,1H3,(H,22,25)(H,23,24)/t19-/m0/s1

InChI Key

UETBLSHVSYABTA-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.28

Polar Surface Area

43.360

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y042-6733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6733?
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What is the minimum amount of Y042-6733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6733
  • 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 Y042-6733 available by request