Y042-6343 Screening compound: N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

Y042-6343 Screening compound: N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Y042-6343 Screening compound: N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6343
N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]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

Y042-6343

Molecular Formula

C16H16N4O3S (C16 H16 N4 O3 S)

Compound Name

N~1~-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

IUPAC name

N-(45-dimethyl-13-thiazol-2-yl)-2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetamide

SMILES

Cc1c(C)sc(NC(CC(C(Nc2c3cccc2)=O)NC3=O)=O)n1

InChI

InChI=1S/C16H16N4O3S/c1-8-9(2)24-16(17-8)20-13(21)7-12-15(23)18-11-6-4-3-5-10(11)14(22)19-12/h3-6,12H,7H2,1-2H3,(H,18,23)(H,19,22)(H,17,20,21)/t12-/m0/s1

InChI Key

QOXXQVXLKJLSIQ-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-2.75

Polar Surface Area

84.723

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y042-6343 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-6343 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y042-6343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6343
  • 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 Y042-6343 available by request