E793-3712 Screening compound: 4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

E793-3712 Screening compound: 4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid
E793-3712 Screening compound: 4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-3712
4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

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

E793-3712

Molecular Formula

C25H29N3O4S2 (C25 H29 N3 O4 S2)

Compound Name

4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

IUPAC name

4-{[4-oxo-2-({[(3-phenylpropyl)carbamoyl]methyl}sulfanyl)-3H4H-thieno[32-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

SMILES

OC(C1CCC(CN(C2=O)C(SCC(NCCCc3ccccc3)=O)=Nc3c2scc3)CC1)=O

InChI

InChI=1S/C25H29N3O4S2/c29-21(26-13-4-7-17-5-2-1-3-6-17)16-34-25-27-20-12-14-33-22(20)23(30)28(25)15-18-8-10-19(11-9-18)24(31)32/h1-3,5-6,12,14,18-19H,4,7-11,13,15-16H2,(H,26,29)(H,31,32)

InChI Key

CSIBNCMCEFIIKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-4.08

Polar Surface Area

79.703

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

E793-3712 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E793-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-3712?
Check Price and Availability of E793-3712, 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 E793-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-3712
  • 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 E793-3712 available by request