G346-0477 Screening compound: 3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

G346-0477 Screening compound: 3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
G346-0477 Screening compound: 3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0477
3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

G346-0477

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

Cc1cccc(CN(c2c(C(N3CC(CC4)CCC4C(N4CCCCCC4)=O)=O)scc2)C3=O)c1

InChI

InChI=1S/C28H35N3O3S/c1-20-7-6-8-22(17-20)19-30-24-13-16-35-25(24)27(33)31(28(30)34)18-21-9-11-23(12-10-21)26(32)29-14-4-2-3-5-15-29/h6-8,13,16-17,21,23H,2-5,9-12,14-15,18-19H2,1H3

InChI Key

KARQUUYSPRBIGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.422

Distribution Coefficient, logD

6.422

Water Solubility, LogSw

-5.48

Polar Surface Area

49.457

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with G346-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0477?
Check Price and Availability of G346-0477, 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 G346-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0477
  • 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 G346-0477 available by request