8151-3616 Screening compound: methyl 4-({2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamoyl)benzoate

8151-3616 Screening compound: methyl 4-({2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamoyl)benzoate
8151-3616 Screening compound: methyl 4-({2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8151-3616
methyl 4-({2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamoyl)benzoate

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

8151-3616

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

methyl 4-({2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}carbamoyl)benzoate

IUPAC name

methyl 4-({2-[(morpholin-4-yl)methyl]-1H-13-benzodiazol-5-yl}carbamoyl)benzoate

SMILES

COC(c(cc1)ccc1C(Nc(cc1)cc2c1[nH]c(CN1CCOCC1)n2)=O)=O

InChI

InChI=1S/C21H22N4O4/c1-28-21(27)15-4-2-14(3-5-15)20(26)22-16-6-7-17-18(12-16)24-19(23-17)13-25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)(H,23,24)

InChI Key

JLUVPHDAFXYGEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.93

Polar Surface Area

76.426

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8151-3616 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8151-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8151-3616?
Check Price and Availability of 8151-3616, 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 8151-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8151-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8151-3616
  • 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 8151-3616 available by request