C450-0679 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide

C450-0679 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide
C450-0679 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0679
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide

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

C450-0679

Molecular Formula

C27H38N4O4S (C27 H38 N4 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-[4-(diethylamino)-2-methylphenyl]-4-methylpentanamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(C(CC(C)C)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C27H38N4O4S/c1-7-30(8-2)22-9-11-24(19(5)16-22)28-27(33)25(15-18(3)4)29-36(34,35)23-10-12-26-21(17-23)13-14-31(26)20(6)32/h9-12,16-18,25,29H,7-8,13-15H2,1-6H3,(H,28,33)/t25-/m0/s1

InChI Key

ZKUXUKBLFULYSV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14759465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.22

Polar Surface Area

83.660

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C450-0679 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C450-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0679?
Check Price and Availability of C450-0679, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C450-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0679
  • 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 C450-0679 available by request