C241-1594 Screening compound: 6-{1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide

C241-1594 Screening compound: 6-{1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide
C241-1594 Screening compound: 6-{1-[2-(4-bromophenyl)-2-oxoethyl]-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 C241-1594
6-{1-[2-(4-bromophenyl)-2-oxoethyl]-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

C241-1594

Molecular Formula

C26H24BrN3O4S (C26 H24 BrN3 O4 S)

Compound Name

6-{1-[2-(4-bromophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-phenylhexanamide

IUPAC name

6-{1-[2-(4-bromophenyl)-2-oxoethyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-phenylhexanamide

SMILES

O=C(CN(c1c(C(N2CCCCCC(Nc3ccccc3)=O)=O)scc1)C2=O)c(cc1)ccc1Br

InChI

InChI=1S/C26H24BrN3O4S/c27-19-12-10-18(11-13-19)22(31)17-30-21-14-16-35-24(21)25(33)29(26(30)34)15-6-2-5-9-23(32)28-20-7-3-1-4-8-20/h1,3-4,7-8,10-14,16H,2,5-6,9,15,17H2,(H,28,32)

InChI Key

GBDFKIHXZSGTRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.64

Polar Surface Area

68.660

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C241-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1594?
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What is the minimum amount of C241-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1594
  • 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 C241-1594 available by request