Y043-8380 Screening compound: N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

Y043-8380 Screening compound: N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide
Y043-8380 Screening compound: N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8380
N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

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

Y043-8380

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

IUPAC name

N-(6-acetamido-13-benzothiazol-2-yl)-2-[4-(1H-pyrrol-1-yl)oxan-4-yl]acetamide

SMILES

CC(Nc(cc1)cc2c1nc(NC(CC1(CCOCC1)n1cccc1)=O)s2)=O

InChI

InChI=1S/C20H22N4O3S/c1-14(25)21-15-4-5-16-17(12-15)28-19(22-16)23-18(26)13-20(6-10-27-11-7-20)24-8-2-3-9-24/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,21,25)(H,22,23,26)

InChI Key

XGWULTXUBIPBRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.26

Polar Surface Area

67.815

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with Y043-8380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8380?
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What is the minimum amount of Y043-8380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8380
  • 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 Y043-8380 available by request