Y044-5179 Screening compound: N~1~-(6-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

Y044-5179 Screening compound: N~1~-(6-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
Y044-5179 Screening compound: N~1~-(6-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 Y044-5179
N~1~-(6-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

Y044-5179

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

N~1~-(6-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-(6-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)c2c1c(cc(cc1)Cl)c1[nH]2

InChI

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

InChI Key

ITSQAGBRVSLMGC-UHFFFAOYSA-N

MDL Number (MFCD)

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

3.527

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-4.22

Polar Surface Area

85.476

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with Y044-5179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5179?
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What is the minimum amount of Y044-5179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5179
  • 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 Y044-5179 available by request