C648-0193 Screening compound: 6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

C648-0193 Screening compound: 6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
C648-0193 Screening compound: 6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0193
6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-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

C648-0193

Molecular Formula

C23H26N4O7S (C23 H26 N4 O7 S)

Compound Name

6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CCC1)CC1C(N(CC1)CCN1C(c1ccco1)=O)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C23H26N4O7S/c1-24-18-7-6-17(14-20(18)34-23(24)30)35(31,32)27-8-2-4-16(15-27)21(28)25-9-11-26(12-10-25)22(29)19-5-3-13-33-19/h3,5-7,13-14,16H,2,4,8-12,15H2,1H3/t16-/m0/s1

InChI Key

XXISOCQJDUVSIN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14779188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-2.26

Polar Surface Area

96.431

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C648-0193 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C648-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0193?
Check Price and Availability of C648-0193, 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 C648-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0193
  • 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 C648-0193 available by request