D051-0048 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(heptyloxy)-N~1~-[(3-methyl-2-thienyl)methyl]benzamide

D051-0048 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(heptyloxy)-N~1~-[(3-methyl-2-thienyl)methyl]benzamide
D051-0048 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(heptyloxy)-N~1~-[(3-methyl-2-thienyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0048
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(heptyloxy)-N~1~-[(3-methyl-2-thienyl)methyl]benzamide

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

D051-0048

Molecular Formula

C24H33NO4S2 (C24 H33 NO4 S2)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-(heptyloxy)-N~1~-[(3-methyl-2-thienyl)methyl]benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-(heptyloxy)-N-[(3-methylthiophen-2-yl)methyl]benzamide

SMILES

CCCCCCCOc(cc1)ccc1C(N(Cc1c(C)ccs1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C24H33NO4S2/c1-3-4-5-6-7-14-29-22-10-8-20(9-11-22)24(26)25(17-23-19(2)12-15-30-23)21-13-16-31(27,28)18-21/h8-12,15,21H,3-7,13-14,16-18H2,1-2H3/t21-/m1/s1

InChI Key

KAWXHNRYDGGWJI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06646000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-5.17

Polar Surface Area

52.296

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

D051-0048 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D051-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0048?
Check Price and Availability of D051-0048, 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 D051-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0048
  • 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 D051-0048 available by request