6173-0353 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

6173-0353 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate
6173-0353 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0353
[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

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

6173-0353

Molecular Formula

C23H24N4O2S2 (C23 H24 N4 O2 S2)

Compound Name

[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

IUPAC name

[(4-methyl-3-phenyl-3H-15-benzodiazepin-2-yl)carbamoyl]methyl morpholine-4-carbodithioate

SMILES

CC(C1c2ccccc2)=Nc(cccc2)c2N=C1NC(CSC(N1CCOCC1)=S)=O

InChI

InChI=1S/C23H24N4O2S2/c1-16-21(17-7-3-2-4-8-17)22(25-19-10-6-5-9-18(19)24-16)26-20(28)15-31-23(30)27-11-13-29-14-12-27/h2-10,21H,11-15H2,1H3,(H,25,26,28)/t21-/m1/s1

InChI Key

YUJMNADFSMMBRH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03941461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.27

Polar Surface Area

51.059

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 6173-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0353?
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What is the minimum amount of 6173-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0353
  • 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 6173-0353 available by request