Y040-4540 Screening compound: 2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid

Y040-4540 Screening compound: 2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid
Y040-4540 Screening compound: 2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4540
2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid

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

Y040-4540

Molecular Formula

C12H16ClNO4S (C12 H16 ClNO4 S)

Compound Name

2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid

IUPAC name

(2S3R)-2-(4-chlorobenzenesulfonamido)-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C12H16ClNO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-9(13)5-7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16)/t8-,11+/m1/s1

InChI Key

LFULISIPSBADSX-KCJUWKMLSA-N

MDL Number (MFCD)

MFCD10567549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.959

Distribution Coefficient, logD

-1.773

Water Solubility, LogSw

-2.72

Polar Surface Area

70.242

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-7.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

Y040-4540 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y040-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4540?
Check Price and Availability of Y040-4540, 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 Y040-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4540
  • 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 Y040-4540 available by request