Y200-5927 Screening compound: 3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

Y200-5927 Screening compound: 3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid
Y200-5927 Screening compound: 3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5927
3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic 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

Y200-5927

Molecular Formula

C21H23ClN2O4S (C21 H23 ClN2 O4 S)

Compound Name

3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

IUPAC name

3-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4567-tetrahydro-1-benzothiophen-2-yl}carbamoyl)propanoic acid

SMILES

CCC(CC1)Cc2c1c(C(Nc(cc1)ccc1Cl)=O)c(NC(CCC(O)=O)=O)s2

InChI

InChI=1S/C21H23ClN2O4S/c1-2-12-3-8-15-16(11-12)29-21(24-17(25)9-10-18(26)27)19(15)20(28)23-14-6-4-13(22)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t12-/m1/s1

InChI Key

KQIQANBAHRHXRF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD06031526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-4.61

Polar Surface Area

74.578

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y200-5927 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y200-5927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5927?
Check Price and Availability of Y200-5927, 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 Y200-5927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5927
  • 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 Y200-5927 available by request