C241-1617 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1617 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1617 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1617
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

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

C241-1617

Molecular Formula

C29H27F3N4O6S (C29 H27 F3 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-[24-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(Nc2cc(C(F)(F)F)ccc2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C29H27F3N4O6S/c30-29(31,32)19-5-4-6-20(14-19)34-25(38)16-36-21-10-12-43-26(21)27(39)35(28(36)40)11-3-1-2-7-24(37)33-15-18-8-9-22-23(13-18)42-17-41-22/h4-6,8-10,12-14H,1-3,7,11,15-17H2,(H,33,37)(H,34,38)

InChI Key

DSTNEQHKEVJVBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.929

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-4.68

Polar Surface Area

97.000

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C241-1617 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C241-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1617?
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What is the minimum amount of C241-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1617
  • 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 C241-1617 available by request