D294-3181 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide

D294-3181 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
D294-3181 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-3181
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide

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

D294-3181

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide

IUPAC name

N-{5-[1-(35-dimethylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-4-pentanamidobenzamide

SMILES

CCCCC(Nc(cc1)ccc1C(Nc1nnc(C(CC2=O)CN2c2cc(C)cc(C)c2)s1)=O)=O

InChI

InChI=1S/C26H29N5O3S/c1-4-5-6-22(32)27-20-9-7-18(8-10-20)24(34)28-26-30-29-25(35-26)19-14-23(33)31(15-19)21-12-16(2)11-17(3)13-21/h7-13,19H,4-6,14-15H2,1-3H3,(H,27,32)(H,28,30,34)/t19-/m0/s1

InChI Key

BKQFDSAGPGNWPA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09271570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-4.35

Polar Surface Area

86.502

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D294-3181 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D294-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-3181?
Check Price and Availability of D294-3181, 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 D294-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-3181
  • 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 D294-3181 available by request