L722-0569 Screening compound: methyl 2-{[6-(4-bromobenzamido)-3,4-dihydro-2H-1-benzopyran-3-yl]formamido}acetate

L722-0569 Screening compound: methyl 2-{[6-(4-bromobenzamido)-3,4-dihydro-2H-1-benzopyran-3-yl]formamido}acetate
L722-0569 Screening compound: methyl 2-{[6-(4-bromobenzamido)-3,4-dihydro-2H-1-benzopyran-3-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L722-0569
methyl 2-{[6-(4-bromobenzamido)-3,4-dihydro-2H-1-benzopyran-3-yl]formamido}acetate

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

L722-0569

Molecular Formula

C20H19BrN2O5 (C20 H19 BrN2 O5)

Compound Name

methyl 2-{[6-(4-bromobenzamido)-3,4-dihydro-2H-1-benzopyran-3-yl]formamido}acetate

IUPAC name

methyl 2-{[6-(4-bromobenzamido)-34-dihydro-2H-1-benzopyran-3-yl]formamido}acetate

SMILES

COC(CNC(C(C1)COc(cc2)c1cc2NC(c(cc1)ccc1Br)=O)=O)=O

InChI

InChI=1S/C20H19BrN2O5/c1-27-18(24)10-22-19(25)14-8-13-9-16(6-7-17(13)28-11-14)23-20(26)12-2-4-15(21)5-3-12/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)(H,23,26)/t14-/m1/s1

InChI Key

DNAUJBFVYQPEAE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27642626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.33

Polar Surface Area

76.963

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L722-0569 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L722-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L722-0569?
Check Price and Availability of L722-0569, 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 L722-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L722-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L722-0569
  • 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 L722-0569 available by request