Y043-6251 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

Y043-6251 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
Y043-6251 Screening compound: N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6251
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(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

Y043-6251

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

IUPAC name

N-(8-chloro-2349-tetrahydro-1H-carbazol-1-yl)-2-(25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl)acetamide

SMILES

O=C(CC(C(Nc1c2cccc1)=O)NC2=O)NC(CCC1)c2c1c1cccc(Cl)c1[nH]2

InChI

InChI=1S/C23H21ClN4O3/c24-15-8-3-6-12-13-7-4-10-17(21(13)28-20(12)15)25-19(29)11-18-23(31)26-16-9-2-1-5-14(16)22(30)27-18/h1-3,5-6,8-9,17-18,28H,4,7,10-11H2,(H,25,29)(H,26,31)(H,27,30)

InChI Key

BOQAOJXOUGLVIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-4.08

Polar Surface Area

86.247

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.09

Y043-6251 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-6251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6251?
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What is the minimum amount of Y043-6251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6251
  • 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 Y043-6251 available by request