C259-1303 Screening compound: 1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]propan-1-one

C259-1303 Screening compound: 1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]propan-1-one
C259-1303 Screening compound: 1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-1303
1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]propan-1-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

C259-1303

Molecular Formula

C25H31BrN6O4S (C25 H31 BrN6 O4 S)

Compound Name

1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]propan-1-one

IUPAC name

1-[5-bromo-6-({3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-23-dihydro-1H-indol-1-yl]propan-1-one

SMILES

CCC(N(CCc1c2)c1cc(S(N(CCC1)CC1C(N(CC1)CCN1c1ncccn1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C25H31BrN6O4S/c1-2-23(33)32-10-6-18-15-20(26)22(16-21(18)32)37(35,36)31-9-3-5-19(17-31)24(34)29-11-13-30(14-12-29)25-27-7-4-8-28-25/h4,7-8,15-16,19H,2-3,5-6,9-14,17H2,1H3/t19-/m0/s1

InChI Key

PPKVTMSIEXTJED-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14737216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.05

Polar Surface Area

85.577

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

C259-1303 in Drug Discovery

Included in Screening Libraries

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 C259-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-1303?
Check Price and Availability of C259-1303, 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 C259-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-1303
  • 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 C259-1303 available by request