3909-9445 Screening compound: N,5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

3909-9445 Screening compound: N,5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
3909-9445 Screening compound: N,5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9445
N,5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

3909-9445

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

N,5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N5-dimethyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[4-(propan-2-yl)phenyl]-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C)C(c1c(C)c(C(N(CC(N2C(C)CCCC2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C26H32N4O3S/c1-16(2)19-9-11-20(12-10-19)28(5)26(33)23-18(4)22-24(34-23)27-15-29(25(22)32)14-21(31)30-13-7-6-8-17(30)3/h9-12,15-17H,6-8,13-14H2,1-5H3/t17-/m0/s1

InChI Key

BZXLXQHMXIDCRU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14709239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.86

Polar Surface Area

57.288

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

3909-9445 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3909-9445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9445?
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What is the minimum amount of 3909-9445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9445
  • 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 3909-9445 available by request