8007-0199 Screening compound: benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylate

8007-0199 Screening compound: benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylate
8007-0199 Screening compound: benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0199
benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-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

8007-0199

Molecular Formula

C28H22N2O3S (C28 H22 N2 O3 S)

Compound Name

benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylate

IUPAC name

benzyl 3-amino-6-(2-methoxyphenyl)-4-phenylthieno[23-b]pyridine-2-carboxylate

SMILES

COc(cccc1)c1-c1cc(-c2ccccc2)c(c(N)c(C(OCc2ccccc2)=O)s2)c2n1

InChI

InChI=1S/C28H22N2O3S/c1-32-23-15-9-8-14-20(23)22-16-21(19-12-6-3-7-13-19)24-25(29)26(34-27(24)30-22)28(31)33-17-18-10-4-2-5-11-18/h2-16H,17,29H2,1H3

InChI Key

BXPCPVXNDRCPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.764

Distribution Coefficient, logD

6.750

Water Solubility, LogSw

-6.03

Polar Surface Area

57.290

Acid Dissociation Constant (pKa)

18.45

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8007-0199 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 8007-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0199?
Check Price and Availability of 8007-0199, 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 8007-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0199
  • 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 8007-0199 available by request