Screening compound: ITGWKHNUUWQZLC-UHFFFAOYSA-N

Screening compound: ITGWKHNUUWQZLC-UHFFFAOYSA-N
Screening compound: ITGWKHNUUWQZLC-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
ITGWKHNUUWQZLC-UHFFFAOYSA-N

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

V014-9928

Molecular Formula

C31H40ClN7O3S (C31 H40 ClN7 O3 S)

Compound Name

1-{1-[2-({4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-{1-[2-({4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetyl]piperidin-4-yl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

C(=O)(N1CCC(N2C(Nc3c2cccc3)=O)CC1)CSc1nc(cc(n1)N1CCN(C(CCC2CCCC2)=O)C(C1)C)Cl

InChI

InChI=1S/C31H40ClN7O3S/c1-21-19-37(16-17-38(21)28(40)11-10-22-6-2-3-7-22)27-18-26(32)34-30(35-27)43-20-29(41)36-14-12-23(13-15-36)39-25-9-5-4-8-24(25)33-31(39)42/h4-5,8-9,18,21-23H,2-3,6-7,10-17,19-20H2,1H3,(H,33,42)

InChI Key

ITGWKHNUUWQZLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242528

ITGWKHNUUWQZLC-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

Frequently Asked Questions

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