Y031-2990 Screening compound: N-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3,4-dimethylbenzamide

Y031-2990 Screening compound: N-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3,4-dimethylbenzamide
Y031-2990 Screening compound: N-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2990
N-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3,4-dimethylbenzamide

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

Y031-2990

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

N-{2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3,4-dimethylbenzamide

IUPAC name

N-{2-[(5-ethyl-134-thiadiazol-2-yl)carbamoyl]phenyl}-34-dimethylbenzamide

SMILES

CCc1nnc(NC(c(cccc2)c2NC(c2cc(C)c(C)cc2)=O)=O)s1

InChI

InChI=1S/C20H20N4O2S/c1-4-17-23-24-20(27-17)22-19(26)15-7-5-6-8-16(15)21-18(25)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,21,25)(H,22,24,26)

InChI Key

ZBDPSLUJDZMZEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07140158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.23

Polar Surface Area

69.763

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y031-2990 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-2990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2990?
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What is the minimum amount of Y031-2990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2990
  • 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 Y031-2990 available by request