G887-0774 Screening compound: ethyl 4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-carboxylate

G887-0774 Screening compound: ethyl 4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-carboxylate
G887-0774 Screening compound: ethyl 4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G887-0774
ethyl 4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-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

G887-0774

Molecular Formula

C22H31N5O3S (C22 H31 N5 O3 S)

Compound Name

ethyl 4-(1-{6-ethylthieno[2,3-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(1-{6-ethylthieno[23-d]pyrimidin-4-yl}piperidine-3-amido)piperidine-1-carboxylate

SMILES

CCc1cc2c(N(CCC3)CC3C(NC(CC3)CCN3C(OCC)=O)=O)ncnc2s1

InChI

InChI=1S/C22H31N5O3S/c1-3-17-12-18-19(23-14-24-21(18)31-17)27-9-5-6-15(13-27)20(28)25-16-7-10-26(11-8-16)22(29)30-4-2/h12,14-16H,3-11,13H2,1-2H3,(H,25,28)/t15-/m0/s1

InChI Key

BIKHRSGAJOBDCD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15072976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.50

Polar Surface Area

71.391

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

G887-0774 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G887-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G887-0774?
Check Price and Availability of G887-0774, 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 G887-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G887-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G887-0774
  • 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 G887-0774 available by request