Y020-2346 Screening compound: N-[3-(4-fluorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

Y020-2346 Screening compound: N-[3-(4-fluorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
Y020-2346 Screening compound: N-[3-(4-fluorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2346
N-[3-(4-fluorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

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

Y020-2346

Molecular Formula

C25H20FN7OS (C25 H20 FN7 OS)

Compound Name

N-[3-(4-fluorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-[3-(4-fluorophenyl)-4-methyl-3H-15-benzodiazepin-2-yl]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

CC(C1c(cc2)ccc2F)=Nc(cccc2)c2N=C1NC(CSc1nnnn1-c1ccccc1)=O

InChI

InChI=1S/C25H20FN7OS/c1-16-23(17-11-13-18(26)14-12-17)24(28-21-10-6-5-9-20(21)27-16)29-22(34)15-35-25-30-31-32-33(25)19-7-3-2-4-8-19/h2-14,23H,15H2,1H3,(H,28,29,34)/t23-/m1/s1

InChI Key

GUZKRCNHEZIUEY-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD08132446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.01

Polar Surface Area

79.981

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

Y020-2346 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-2346 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-2346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2346
  • 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 Y020-2346 available by request