Y043-8758 Screening compound: 2-{[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid

Y043-8758 Screening compound: 2-{[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid
Y043-8758 Screening compound: 2-{[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8758
2-{[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid

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

Y043-8758

Molecular Formula

C17H18ClNO6 (C17 H18 ClNO6)

Compound Name

2-{[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid

IUPAC name

2-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid

SMILES

CCC(C(O)=O)NC(CC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OC)=O

InChI

InChI=1S/C17H18ClNO6/c1-4-12(16(21)22)19-15(20)6-10-8(2)9-5-11(18)14(24-3)7-13(9)25-17(10)23/h5,7,12H,4,6H2,1-3H3,(H,19,20)(H,21,22)/t12-/m0/s1

InChI Key

YUBKQLAPSNVVHF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05675682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.777

Distribution Coefficient, logD

-1.841

Water Solubility, LogSw

-2.67

Polar Surface Area

81.300

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

Y043-8758 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y043-8758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8758?
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What is the minimum amount of Y043-8758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8758
  • 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 Y043-8758 available by request