6391-0472 Screening compound: 1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0472 Screening compound: 1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0472 Screening compound: 1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0472
1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6391-0472

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[4-(hexyloxy)phenyl]-2-[5-(propan-2-yl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCCCCOc1ccc(C(C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2nnc(C(C)C)s2)cc1

InChI

InChI=1S/C28H29N3O4S/c1-4-5-6-9-16-34-19-14-12-18(13-15-19)23-22-24(32)20-10-7-8-11-21(20)35-25(22)27(33)31(23)28-30-29-26(36-28)17(2)3/h7-8,10-15,17,23H,4-6,9,16H2,1-3H3/t23-/m1/s1

InChI Key

RYZFLFFKMHDWNG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06289557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.681

Distribution Coefficient, logD

6.681

Water Solubility, LogSw

-5.69

Polar Surface Area

66.858

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

6391-0472 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0472?
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What is the minimum amount of 6391-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0472
  • 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 6391-0472 available by request