Y043-7518 Screening compound: N-((1S)-1-benzyl-2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1-pyrrolidinecarboxamide

Y043-7518 Screening compound: N-((1S)-1-benzyl-2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1-pyrrolidinecarboxamide
Y043-7518 Screening compound: N-((1S)-1-benzyl-2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7518
N-((1S)-1-benzyl-2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1-pyrrolidinecarboxamide

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

Y043-7518

Molecular Formula

C18H23N5O3S (C18 H23 N5 O3 S)

Compound Name

N-((1S)-1-benzyl-2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1-pyrrolidinecarboxamide

IUPAC name

(2S)-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-3-phenyl-2-[(pyrrolidine-1-carbonyl)amino]propanamide

SMILES

COCc1nnc(NC(C(Cc2ccccc2)NC(N2CCCC2)=O)=O)s1

InChI

InChI=1S/C18H23N5O3S/c1-26-12-15-21-22-17(27-15)20-16(24)14(11-13-7-3-2-4-8-13)19-18(25)23-9-5-6-10-23/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,19,25)(H,20,22,24)/t14-/m0/s1

InChI Key

GXFRWDJDYXSSFS-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.96

Polar Surface Area

82.581

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

Y043-7518 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-7518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7518?
Check Price and Availability of Y043-7518, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-7518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7518
  • 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 Y043-7518 available by request