Y010-1207 Screening compound: ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate

Y010-1207 Screening compound: ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate
Y010-1207 Screening compound: ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1207
ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate

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

Y010-1207

Molecular Formula

C16H19N5O3S (C16 H19 N5 O3 S)

Compound Name

ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-1,2,3-thiadiazole-4-carboxylate

IUPAC name

ethyl 5-{[2-(pyridin-3-yl)piperidine-1-carbonyl]amino}-123-thiadiazole-4-carboxylate

SMILES

CCOC(c1c(NC(N(CCCC2)C2c2cnccc2)=O)snn1)=O

InChI

InChI=1S/C16H19N5O3S/c1-2-24-15(22)13-14(25-20-19-13)18-16(23)21-9-4-3-7-12(21)11-6-5-8-17-10-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,23)/t12-/m0/s1

InChI Key

DKEYIOLHUVZWQJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09992837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.635

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-1.71

Polar Surface Area

76.814

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

Y010-1207 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1207?
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What is the minimum amount of Y010-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1207
  • 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 Y010-1207 available by request