C241-1604 Screening compound: 6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide

C241-1604 Screening compound: 6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide
C241-1604 Screening compound: 6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1604
6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide

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

C241-1604

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide

IUPAC name

6-{1-[(5-formyl-2-methoxyphenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-phenylhexanamide

SMILES

COc1c(CN(c2c(C(N3CCCCCC(Nc4ccccc4)=O)=O)scc2)C3=O)cc(C=O)cc1

InChI

InChI=1S/C27H27N3O5S/c1-35-23-12-11-19(18-31)16-20(23)17-30-22-13-15-36-25(22)26(33)29(27(30)34)14-7-3-6-10-24(32)28-21-8-4-2-5-9-21/h2,4-5,8-9,11-13,15-16,18H,3,6-7,10,14,17H2,1H3,(H,28,32)

InChI Key

COYCEIKPTWTNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.18

Polar Surface Area

77.203

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C241-1604 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C241-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1604?
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What is the minimum amount of C241-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1604
  • 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 C241-1604 available by request