C700-1393 Screening compound: 4-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-1393 Screening compound: 4-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-1393 Screening compound: 4-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1393
4-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-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

C700-1393

Molecular Formula

C27H40N4O5S (C27 H40 N4 O5 S)

Compound Name

4-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-(2-{[14'-bipiperidin]-1'-yl}-2-oxoethyl)-6-[(35-dimethylpiperidin-1-yl)sulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(N2CC(N(CC3)CCC3N3CCCCC3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C27H40N4O5S/c1-20-14-21(2)17-30(16-20)37(34,35)23-6-7-25-24(15-23)31(27(33)19-36-25)18-26(32)29-12-8-22(9-13-29)28-10-4-3-5-11-28/h6-7,15,20-22H,3-5,8-14,16-19H2,1-2H3

InChI Key

KFBZYCILPAJVEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

-0.745

Water Solubility, LogSw

-3.49

Polar Surface Area

75.132

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.40

C700-1393 in Drug Discovery

Included in Screening Libraries

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 C700-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C700-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1393
  • 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 C700-1393 available by request