4478-7661 Screening compound: 2-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

4478-7661 Screening compound: 2-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine
4478-7661 Screening compound: 2-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7661
2-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

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

4478-7661

Molecular Formula

C27H22N2O4S2 (C27 H22 N2 O4 S2)

Compound Name

2-(3,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

IUPAC name

2-(34-dimethoxybenzoyl)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)thieno[23-b]pyridin-3-amine

SMILES

COc(cc1)ccc1-c1c(c(N)c(C(c(cc2)cc(OC)c2OC)=O)s2)c2nc(-c2cccs2)c1

InChI

InChI=1S/C27H22N2O4S2/c1-31-17-9-6-15(7-10-17)18-14-19(22-5-4-12-34-22)29-27-23(18)24(28)26(35-27)25(30)16-8-11-20(32-2)21(13-16)33-3/h4-14H,28H2,1-3H3

InChI Key

FAZVHEGBJJXUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02604490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.643

Distribution Coefficient, logD

6.643

Water Solubility, LogSw

-5.95

Polar Surface Area

66.092

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4478-7661 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4478-7661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7661?
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What is the minimum amount of 4478-7661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7661
  • 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 4478-7661 available by request