D294-3611 Screening compound: 4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

D294-3611 Screening compound: 4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide
D294-3611 Screening compound: 4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-3611
4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}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

D294-3611

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-(2-ethylbutanamido)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}benzamide

SMILES

CCC(CC)C(Nc(cc1)ccc1C(Nc1nnc(C(CC2=O)CN2c2c(C)cccc2)s1)=O)=O

InChI

InChI=1S/C26H29N5O3S/c1-4-17(5-2)23(33)27-20-12-10-18(11-13-20)24(34)28-26-30-29-25(35-26)19-14-22(32)31(15-19)21-9-7-6-8-16(21)3/h6-13,17,19H,4-5,14-15H2,1-3H3,(H,27,33)(H,28,30,34)/t19-/m0/s1

InChI Key

IHWFCYMBWSNCNV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09271588

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

4.372

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-4.20

Polar Surface Area

86.415

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D294-3611 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D294-3611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-3611?
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What is the minimum amount of D294-3611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-3611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-3611
  • 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 D294-3611 available by request