C450-0112 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(2,2-dimethoxyethyl)-3-methylbutanamide

C450-0112 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(2,2-dimethoxyethyl)-3-methylbutanamide
C450-0112 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(2,2-dimethoxyethyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0112
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(2,2-dimethoxyethyl)-3-methylbutanamide

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

C450-0112

Molecular Formula

C19H29N3O6S (C19 H29 N3 O6 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(2,2-dimethoxyethyl)-3-methylbutanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(22-dimethoxyethyl)-3-methylbutanamide

SMILES

CC(C)C(C(NCC(OC)OC)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C19H29N3O6S/c1-12(2)18(19(24)20-11-17(27-4)28-5)21-29(25,26)15-6-7-16-14(10-15)8-9-22(16)13(3)23/h6-7,10,12,17-18,21H,8-9,11H2,1-5H3,(H,20,24)/t18-/m0/s1

InChI Key

RLGUDNAASSCUIS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14759330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.630

Distribution Coefficient, logD

0.629

Water Solubility, LogSw

-2.42

Polar Surface Area

98.431

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

C450-0112 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C450-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0112?
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What is the minimum amount of C450-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0112
  • 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 C450-0112 available by request