D702-0180 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)acetamide

D702-0180 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)acetamide
D702-0180 Screening compound: 2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0180
2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)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

D702-0180

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

2-(3-benzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)acetamide

IUPAC name

2-(3-benzyl-26-dioxo-1236-tetrahydropyrimidin-1-yl)-N-(butan-2-yl)acetamide

SMILES

CCC(C)NC(CN(C(C=CN1Cc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C17H21N3O3/c1-3-13(2)18-15(21)12-20-16(22)9-10-19(17(20)23)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,18,21)/t13-/m0/s1

InChI Key

WQRFPEWZVWEUNO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27596767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.010

Distribution Coefficient, logD

1.010

Water Solubility, LogSw

-1.84

Polar Surface Area

56.341

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D702-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0180?
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What is the minimum amount of D702-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0180
  • 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 D702-0180 available by request