Y043-2176 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide

Y043-2176 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide
Y043-2176 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2176
3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide

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

Y043-2176

Molecular Formula

C18H17ClN8OS (C18 H17 ClN8 OS)

Compound Name

3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-phenethyl-1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

3-[(2-chloro-9H-purin-6-yl)amino]-N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]propanamide

SMILES

O=C(CCNc1c2nc[nH]c2nc(Cl)n1)Nc1nnc(CCc2ccccc2)s1

InChI

InChI=1S/C18H17ClN8OS/c19-17-24-15(14-16(25-17)22-10-21-14)20-9-8-12(28)23-18-27-26-13(29-18)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,23,27,28)(H2,20,21,22,24,25)

InChI Key

HBJDQLDDNVIICE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20536456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.60

Polar Surface Area

98.804

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y043-2176 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2176?
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What is the minimum amount of Y043-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2176
  • 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 Y043-2176 available by request