SA85-0663 Screening compound: 1-benzyl-6-hydroxy-4-(4-pyrimidinylcarbonyl)-1,4-diazepan-2-one

SA85-0663 Screening compound: 1-benzyl-6-hydroxy-4-(4-pyrimidinylcarbonyl)-1,4-diazepan-2-one
SA85-0663 Screening compound: 1-benzyl-6-hydroxy-4-(4-pyrimidinylcarbonyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0663
1-benzyl-6-hydroxy-4-(4-pyrimidinylcarbonyl)-1,4-diazepan-2-one

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

SA85-0663

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

1-benzyl-6-hydroxy-4-(4-pyrimidinylcarbonyl)-1,4-diazepan-2-one

IUPAC name

1-benzyl-6-hydroxy-4-(pyrimidine-4-carbonyl)-14-diazepan-2-one

SMILES

OC(CN(Cc1ccccc1)C(C1)=O)CN1C(c1ncncc1)=O

InChI

InChI=1S/C17H18N4O3/c22-14-9-20(8-13-4-2-1-3-5-13)16(23)11-21(10-14)17(24)15-6-7-18-12-19-15/h1-7,12,14,22H,8-11H2/t14-/m1/s1

InChI Key

IRKOGGJOQINCJJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32242888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.341

Distribution Coefficient, logD

-0.341

Water Solubility, LogSw

-1.02

Polar Surface Area

69.635

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

SA85-0663 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA85-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0663?
Check Price and Availability of SA85-0663, 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 SA85-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0663
  • 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 SA85-0663 available by request