D039-0068 Screening compound: N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)acetamide

D039-0068 Screening compound: N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)acetamide
D039-0068 Screening compound: N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0068
N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)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

D039-0068

Molecular Formula

C25H27N7O4 (C25 H27 N7 O4)

Compound Name

N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)acetamide

IUPAC name

N-(4-{[(5-{[(4-acetamidophenyl)carbamoyl]amino}-26-dimethylpyridin-3-yl)carbamoyl]amino}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1NC(Nc1cc(NC(Nc(cc2)ccc2NC(C)=O)=O)c(C)nc1C)=O)=O

InChI

InChI=1S/C25H27N7O4/c1-14-22(31-24(35)29-20-9-5-18(6-10-20)27-16(3)33)13-23(15(2)26-14)32-25(36)30-21-11-7-19(8-12-21)28-17(4)34/h5-13H,1-4H3,(H,27,33)(H,28,34)(H2,29,31,35)(H2,30,32,36)

InChI Key

XYCBPHGMABUZMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.19

Polar Surface Area

119.742

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D039-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0068?
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What is the minimum amount of D039-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0068
  • 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 D039-0068 available by request