Y043-2174 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

Y043-2174 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
Y043-2174 Screening compound: 3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2174
3-[(2-chloro-9H-purin-6-yl)amino]-N~1~-(5-cyclopropyl-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

Y043-2174

Molecular Formula

C13H13ClN8OS (C13 H13 ClN8 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCNc1c2nc[nH]c2nc(Cl)n1)Nc1nnc(C2CC2)s1

InChI

InChI=1S/C13H13ClN8OS/c14-12-19-9(8-10(20-12)17-5-16-8)15-4-3-7(23)18-13-22-21-11(24-13)6-1-2-6/h5-6H,1-4H2,(H,18,22,23)(H2,15,16,17,19,20)

InChI Key

UMMKMZRPVFMQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20536026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.490

Water Solubility, LogSw

-2.69

Polar Surface Area

98.832

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

Y043-2174 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2174?
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What is the minimum amount of Y043-2174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2174
  • 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 Y043-2174 available by request