D315-1254 Screening compound: 5-{1-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-1,6-dihydropyridazin-3-yl}-N,N-diethyl-2-methylbenzene-1-sulfonamide

D315-1254 Screening compound: 5-{1-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-1,6-dihydropyridazin-3-yl}-N,N-diethyl-2-methylbenzene-1-sulfonamide
D315-1254 Screening compound: 5-{1-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-1,6-dihydropyridazin-3-yl}-N,N-diethyl-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D315-1254
5-{1-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-1,6-dihydropyridazin-3-yl}-N,N-diethyl-2-methylbenzene-1-sulfonamide

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

D315-1254

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

5-{1-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-1,6-dihydropyridazin-3-yl}-N,N-diethyl-2-methylbenzene-1-sulfonamide

IUPAC name

5-{1-[1-(23-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-6-oxo-16-dihydropyridazin-3-yl}-NN-diethyl-2-methylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c1c(C)ccc(C(C=C2)=NN(C(C)C(N(CC3)c4c3cccc4)=O)C2=O)c1)(=O)=O

InChI

InChI=1S/C26H30N4O4S/c1-5-28(6-2)35(33,34)24-17-21(12-11-18(24)3)22-13-14-25(31)30(27-22)19(4)26(32)29-16-15-20-9-7-8-10-23(20)29/h7-14,17,19H,5-6,15-16H2,1-4H3/t19-/m0/s1

InChI Key

OHHWNFNESBFTRE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27580077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.00

Polar Surface Area

74.128

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D315-1254 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D315-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1254?
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What is the minimum amount of D315-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1254
  • 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 D315-1254 available by request