D053-0319 Screening compound: 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide

D053-0319 Screening compound: 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide
D053-0319 Screening compound: 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0319
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide

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

D053-0319

Molecular Formula

C10H10ClN5O3S3 (C10 H10 ClN5 O3 S3)

Compound Name

5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CCSc1nnc(NC(c(nc(nc2)S(C)(=O)=O)c2Cl)=O)s1

InChI

InChI=1S/C10H10ClN5O3S3/c1-3-20-10-16-15-8(21-10)14-7(17)6-5(11)4-12-9(13-6)22(2,18)19/h4H,3H2,1-2H3,(H,14,15,17)

InChI Key

AALNMHGWSGAUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

0.487

Water Solubility, LogSw

-3.02

Polar Surface Area

95.397

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D053-0319 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D053-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0319?
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What is the minimum amount of D053-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0319
  • 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 D053-0319 available by request