Y200-3967 Screening compound: 2-({[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic acid

Y200-3967 Screening compound: 2-({[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic acid
Y200-3967 Screening compound: 2-({[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3967
2-({[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic 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

Y200-3967

Molecular Formula

C20H21NO6S (C20 H21 NO6 S)

Compound Name

2-({[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic acid

IUPAC name

2-({[3-(methoxycarbonyl)-6-phenyl-4567-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methoxy)acetic acid

SMILES

COC(c1c(NC(COCC(O)=O)=O)sc(C2)c1CCC2c1ccccc1)=O

InChI

InChI=1S/C20H21NO6S/c1-26-20(25)18-14-8-7-13(12-5-3-2-4-6-12)9-15(14)28-19(18)21-16(22)10-27-11-17(23)24/h2-6,13H,7-11H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1

InChI Key

CHJDTDZDRVWYCF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06031053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

-0.640

Water Solubility, LogSw

-3.35

Polar Surface Area

80.823

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y200-3967 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y200-3967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3967?
Check Price and Availability of Y200-3967, 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 Y200-3967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3967
  • 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 Y200-3967 available by request