7776-0075 Screening compound: 5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

7776-0075 Screening compound: 5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid
7776-0075 Screening compound: 5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7776-0075
5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic 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

7776-0075

Molecular Formula

C24H26N2O5S (C24 H26 N2 O5 S)

Compound Name

5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

IUPAC name

5-[({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

SMILES

COc(cc(CNc(cc1)cc(C(O)=O)c1N1CCOCC1)cc1)c1OCc1cccs1

InChI

InChI=1S/C24H26N2O5S/c1-29-23-13-17(4-7-22(23)31-16-19-3-2-12-32-19)15-25-18-5-6-21(20(14-18)24(27)28)26-8-10-30-11-9-26/h2-7,12-14,25H,8-11,15-16H2,1H3,(H,27,28)

InChI Key

SIPYHWNFYFBSOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06605544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-3.90

Polar Surface Area

65.904

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

7776-0075 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7776-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7776-0075?
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What is the minimum amount of 7776-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7776-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7776-0075
  • 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 7776-0075 available by request