Y030-9297 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide

Y030-9297 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide
Y030-9297 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9297
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)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

Y030-9297

Molecular Formula

C20H19ClN4O2S (C20 H19 ClN4 O2 S)

Compound Name

N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-134-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide

SMILES

CC(C)C(Nc(cc1)ccc1C(Nc1nnc(Cc(cc2)ccc2Cl)s1)=O)=O

InChI

InChI=1S/C20H19ClN4O2S/c1-12(2)18(26)22-16-9-5-14(6-10-16)19(27)23-20-25-24-17(28-20)11-13-3-7-15(21)8-4-13/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,25,27)

InChI Key

SUGHDWQZOZJZNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05660672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.67

Polar Surface Area

70.461

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y030-9297 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 Y030-9297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9297?
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What is the minimum amount of Y030-9297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9297
  • 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 Y030-9297 available by request