Y040-8407 Screening compound: 5-(carbamoylamino)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic acid

Y040-8407 Screening compound: 5-(carbamoylamino)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic acid
Y040-8407 Screening compound: 5-(carbamoylamino)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8407
5-(carbamoylamino)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic 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

Y040-8407

Molecular Formula

C21H25N3O7 (C21 H25 N3 O7)

Compound Name

5-(carbamoylamino)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic acid

IUPAC name

(2S)-5-(carbamoylamino)-2-[2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]pentanoic acid

SMILES

NC(NCCCC(C(O)=O)NC(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O)=O

InChI

InChI=1S/C21H25N3O7/c22-21(29)23-9-3-6-16(19(26)27)24-18(25)11-30-12-7-8-14-13-4-1-2-5-15(13)20(28)31-17(14)10-12/h7-8,10,16H,1-6,9,11H2,(H,24,25)(H,26,27)(H3,22,23,29)/t16-/m0/s1

InChI Key

SPDVCKVVLULAFV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03660346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.213

Distribution Coefficient, logD

-3.405

Water Solubility, LogSw

-2.17

Polar Surface Area

126.314

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y040-8407 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8407?
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What is the minimum amount of Y040-8407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8407
  • 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 Y040-8407 available by request