8017-8123 Screening compound: 2,4-dichloro-5-[(cyclopropylamino)sulfonyl]-N~1~-(1-ethyl-1-methyl-2-propynyl)benzamide

8017-8123 Screening compound: 2,4-dichloro-5-[(cyclopropylamino)sulfonyl]-N~1~-(1-ethyl-1-methyl-2-propynyl)benzamide
8017-8123 Screening compound: 2,4-dichloro-5-[(cyclopropylamino)sulfonyl]-N~1~-(1-ethyl-1-methyl-2-propynyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8123
2,4-dichloro-5-[(cyclopropylamino)sulfonyl]-N~1~-(1-ethyl-1-methyl-2-propynyl)benzamide

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

8017-8123

Molecular Formula

C16H18Cl2N2O3S (C16 H18 Cl2 N2 O3 S)

Compound Name

2,4-dichloro-5-[(cyclopropylamino)sulfonyl]-N~1~-(1-ethyl-1-methyl-2-propynyl)benzamide

IUPAC name

24-dichloro-5-(cyclopropylsulfamoyl)-N-(3-methylpent-1-yn-3-yl)benzamide

SMILES

CCC(C)(C#C)NC(c(c(Cl)c1)cc(S(NC2CC2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C16H18Cl2N2O3S/c1-4-16(3,5-2)19-15(21)11-8-14(13(18)9-12(11)17)24(22,23)20-10-6-7-10/h1,8-10,20H,5-7H2,2-3H3,(H,19,21)/t16-/m1/s1

InChI Key

RTWQXGGJRYSRML-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06618407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.78

Polar Surface Area

66.710

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

8017-8123 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8123?
Check Price and Availability of 8017-8123, 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 8017-8123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8123
  • 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 8017-8123 available by request