Y200-1938 Screening compound: methyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate

Y200-1938 Screening compound: methyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate
Y200-1938 Screening compound: methyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-1938
methyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate

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

Y200-1938

Molecular Formula

C20H14ClNO5S (C20 H14 ClNO5 S)

Compound Name

methyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate

IUPAC name

methyl 2-(2H-13-benzodioxole-5-amido)-4-(4-chlorophenyl)thiophene-3-carboxylate

SMILES

COC(c1c(NC(c(cc2)cc3c2OCO3)=O)scc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H14ClNO5S/c1-25-20(24)17-14(11-2-5-13(21)6-3-11)9-28-19(17)22-18(23)12-4-7-15-16(8-12)27-10-26-15/h2-9H,10H2,1H3,(H,22,23)

InChI Key

AXUIWSPMJGJHJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03395604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-5.09

Polar Surface Area

61.142

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y200-1938 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y200-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-1938?
Check Price and Availability of Y200-1938, 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 Y200-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-1938
  • 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 Y200-1938 available by request